Nitrogen Containing Oxygenates Exploration

Compounds Ordered by Br, C, Cl, F, H, N, O

Formula : CD3NO2
Name : Nitromethane-d3
CAS : 13031-32-8
Smiles :[2H]C([2H])([2H])[N+]([O-])=O
InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3
Cl reactions
OH reactions

Formula : CH3ONO
Name : Methyl Nitrite
CAS : 624-91-9
Smiles :CON=O
InChI=1S/CH3NO2/c1-4-2-3/h1H3
Cl reactions
OH reactions

Formula : CH3NO2
Name : Nitromethane
CAS : ***
Smiles :C[N+](=O)[O-]
InChI=1S/CH3NO2/c1-2(3)4/h1H3
Cl reactions
OH reactions

Formula : CH3ONO2
Name : Methyl Nitrate
CAS : 598-58-3
Smiles :CO[N+](=O)[O-]
InChI=1S/CH3NO3/c1-5-2(3)4/h1H3
Cl reactions
OH reactions

Formula : CH2=CHNO2
Name : Nitroethene
CAS : ***
Smiles :C=C[N+](=O)[O-]
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
OH reactions

Formula : CH3C(O)OONO2
Name : Peroxyacetyl Nitrate
CAS : 2278-22-0
Smiles :CC(O)O[N+](=O)[O-]
InChI=1S/C2H5NO4/c1-2(4)7-3(5)6/h2,4H,1H3
Cl reactions
OH reactions

Formula : CH3NHC(O)H
Name : N-Methylformamide
CAS : 123-39-7
Smiles :O=CNC
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
Cl reactions
OH reactions

Formula : CH3CH2ONO
Name : Ethyl Nitrite
CAS : 109-95-5
Smiles :CCON=O
InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2NO2
Name : Nitroethane
CAS : ***
Smiles :CC[N+](=O)[O-]
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2ONO2
Name : Ethyl Nitrate
CAS : 625-58-1
Smiles :CCO[N+](=O)[O-]
InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3
Cl reactions
OH reactions

Formula : (CH3)2NNO
Name : Nitrosodimethylamine
CAS : 62-75-9
Smiles :O=NN(C)C
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3
O3 reactions
OH reactions

Formula : (CH3)2NNO2
Name : Dimethylnitramine
CAS : 4164-28-7
Smiles :[O-][N+](=O)N(C)C
InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3
O3 reactions
OH reactions

Formula : CH2=CHCH2NO2
Name : Nitropropene
CAS : ***
Smiles :C=CC[N+](=O)[O-]
InChI=1S/C3H5NO2/c1-2-3-4(5)6/h2H,1,3H2
OH reactions

Representation of Alpha-nitrooxy acetone

Formula : CH3C(O)CH2ONO2
Name : Alpha-nitrooxy acetone
CAS : ***
Smiles :CC(O)CO[N+](=O)[O-]
InChI=1S/C3H7NO4/c1-3(5)2-8-4(6)7/h3,5H,2H2,1H3
OH reactions

Representation of Peroxypropionyl Nitrate

Formula : C2H5C(O)O2NO2
Name : Peroxypropionyl Nitrate
CAS : 5796-89-4
Smiles :CCC(O)O[N+](=O)[O-]
InChI=1S/C3H7NO4/c1-2-3(5)8-4(6)7/h3,5H,2H2,1H3
Cl reactions

Representation of 1,2-propandiol dinitrate

Formula : CH3CH(ONO2)CH2ONO2
Name : 1,2-propandiol dinitrate
CAS : ***
Smiles :CC(O[N+](=O)[O-])C(O[N+](=O)[O-])
InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3
OH reactions

Formula : (CH3)2NC(O)H
Name : N,N-Dimethylformamide
CAS : 68-12-2
Smiles :O=CN(C)C
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3NHC(O)CH3
Name : N-Methylacetamide
CAS : 79-16-3
Smiles :CC(=O)NC
InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
Cl reactions
OH reactions

Formula : CH3CH2CH2NO2
Name : 1-Nitropropane
CAS : ***
Smiles :CCC[N+](=O)[O-]
InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
Cl reactions
OH reactions

Formula : CH3CHNO2CH3
Name : 2-Nitropropane
CAS : ***
Smiles :CC(C)[N+](=O)[O-]
InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
OH reactions

Formula : CH3CH2CH2ONO
Name : n-Propyl Nitrite
CAS : ***
Smiles :CCCON=O
InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3
Cl reactions
OH reactions

Formula : CH3CH(ONO2)CH3
Name : i-Propyl Nitrate
CAS : 1712-64-7
Smiles :O=[N+]([O-])OC(C)C
InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
Cl reactions
OH reactions

Formula : CH3CH2CH2ONO2
Name : n-Propyl Nitrate
CAS : 627-13-4
Smiles :CCCO[N+](=O)[O-]
InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3
Cl reactions
OH reactions

Formula : CH3CH(OH)CH2ONO2
Name : 1-Nitrooxy-2-propanol
CAS : ***
Smiles :CC(O)CO[N+](=O)[O-]
InChI=1S/C3H7NO4/c1-3(5)2-8-4(6)7/h3,5H,2H2,1H3
Cl reactions
OH reactions

Formula : CH3CH(ONO2)CH2OH
Name : 2-Nitrooxy-1-propanol
CAS : ***
Smiles :CC(O[N+](=O)[O-])CO
InChI=1S/C3H7NO4/c1-3(2-5)8-4(6)7/h3,5H,2H2,1H3
Cl reactions
OH reactions

Representation of Peroxymethacrylic nitric anhydride

Formula : CH2=C(CH3)C(O)OONO2
Name : Peroxymethacrylic nitric anhydride
CAS : ***
Smiles :C=C(C)C(O)O[N+](=O)[O-]
InChI=1S/C4H7NO4/c1-3(2)4(6)9-5(7)8/h4,6H,1H2,2H3
NO3 reactions
O3 reactions
OH reactions

Representation of 3,4-dinitrooxy-1-butene

Formula : CH2(ONO2)CH(ONO2)CH=CH2
Name : 3,4-dinitrooxy-1-butene
CAS : ***
Smiles :C(O[N+](=O)[O-])CC(O[N+](=O)[O-])C=C
InChI=1S/C5H8N2O6/c1-2-5(13-7(10)11)3-4-12-6(8)9/h2,5H,1,3-4H2
OH reactions

Representation of cis-1,4-dinitrooxy-2-butene

Formula : CH2(ONO2)CH=CHCH2ONO2
Name : cis-1,4-dinitrooxy-2-butene
CAS : ***
Smiles :C(O[N+](=O)[O-])C=CC(O[N+](=O)[O-])
InChI=1S/C4H6N2O6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-2H,3-4H2
OH reactions

Representation of 1-Nitrooxy-2-butanol-3-ene

Formula : CH2=CHCH(OH)CH2(ONO2)
Name : 1-Nitrooxy-2-butanol-3-ene
CAS : ***
Smiles :C=CC(O)CO[N+](=O)[O-]
InChI=1S/C4H7NO4/c1-2-4(6)3-9-5(7)8/h2,4,6H,1,3H2
OH reactions

Formula : CH3CH2C(O)CH2ONO2
Name : 1-nitrooxy-2-butanone
CAS : ***
Smiles :CCC(O)CO[N+](=O)[O-]
InChI=1S/C4H9NO4/c1-2-4(6)3-9-5(7)8/h4,6H,2-3H2,1H3
OH reactions

Formula : CH3CH(ONO2)C(O)CH3
Name : 3-nitrooxy-2-butanone
CAS : ***
Smiles :CC(O[N+](=O)[O-])C(O)C
InChI=1S/C4H9NO4/c1-3(6)4(2)9-5(7)8/h3-4,6H,1-2H3
OH reactions

Representation of 4-Nitrooxy-1-butanol-2-ene

Formula : CH2(ONO2)CH=CHCH2OH
Name : 4-Nitrooxy-1-butanol-2-ene
CAS : ***
Smiles :C(O[N+](=O)[O-])C=CCO
InChI=1S/C4H7NO4/c6-3-1-2-4-9-5(7)8/h1-2,6H,3-4H2
OH reactions

Representation of 1,2-butandiol dinitrate

Formula : CH3CH2CH(ONO2)CH2ONO2
Name : 1,2-butandiol dinitrate
CAS : ***
Smiles :CCC(O[N+](=O)[O-])C(O[N+](=O)[O-])
InChI=1S/C4H8N2O6/c1-2-4(12-6(9)10)3-11-5(7)8/h4H,2-3H2,1H3
OH reactions

Formula : CH2(ONO2)CH2CH2CH2(ONO2)
Name : 1,4-Butyl dinitrate
CAS : ***
Smiles :C(O[N+](=O)[O-])CCCCCO
InChI=1S/C6H13NO4/c8-5-3-1-2-4-6-11-7(9)10/h8H,1-6H2
Cl reactions
OH reactions

Representation of 2,3-butandiol dinitrate

Formula : CH3CH(ONO2)CH(ONO2)CH3
Name : 2,3-butandiol dinitrate
CAS : ***
Smiles :CC(O[N+](=O)[O-])C(O[N+](=O)[O-])C
InChI=1S/C4H8N2O6/c1-3(11-5(7)8)4(2)12-6(9)10/h3-4H,1-2H3
OH reactions

Formula : (CH3)2NC(O)CH3
Name : N,N-Dimethylacetamide
CAS : 127-19-5
Smiles :O=C(N(C)C)C
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Cl reactions
NO3 reactions
OH reactions

Formula : CH3NHC(O)CH2CH3
Name : N-Methylpropionamide
CAS : 1187-58-2
Smiles :CCC(=O)NC
InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
OH reactions

Formula : C4H9NO
Name : terahydro-1,4-oxazine
CAS :
Smiles :C1COCCN1
InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
OH reactions

Formula : CH3CH2CH2CH2NO2
Name : 1-Nitrobutane
CAS : ***
Smiles :CCCC[N+](=O)[O-]
InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH(ONO)CH3
Name : 2-Butyl Nitrite
CAS : ***
Smiles :CCC(C)ON=O
InChI=1S/C4H9NO2/c1-3-4(2)7-5-6/h4H,3H2,1-2H3
OH reactions

Representation of 2-Methyl-1-propyl Nitrite

Formula : (CH3)2CHCH2ONO
Name : 2-Methyl-1-propyl Nitrite
CAS : ***
Smiles :C(C)CCON=O
InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
OH reactions

Representation of 2-Methyl-2-propyl Nitrite

Formula : (CH3)3CONO
Name : 2-Methyl-2-propyl Nitrite
CAS : ***
Smiles :C(C)(C)CON=O
InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
OH reactions

Formula : CH3CH2CH2CH2ONO
Name : n-Butyl Nitrite
CAS : ***
Smiles :CCCCON=O
InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH(ONO2)CH3
Name : 2-Butyl Nitrate
CAS : 924-52-7
Smiles :CC(C)CO[N+](=O)[O-]
InChI=1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
OH reactions

Formula : (CH3)2CHCH2ONO2
Name : Iso-Butyl Nitrate
CAS : 543-29-3
Smiles :C(C)CCO[N+](=O)[O-]
InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3
OH reactions

Formula : CH3CH2CH2CH2ONO2
Name : n-Butyl Nitrate
CAS : 928-45-0
Smiles :CCCCO[N+](=O)[O-]
InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH(OH)CH2ONO2
Name : 1-Nitrooxy-2-butanol
CAS : ***
Smiles :CCC(O)C(O[N+](=O)[O-])
InChI=1S/C4H9NO4/c1-2-4(6)3-9-5(7)8/h4,6H,2-3H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH(ONO2)CH2OH
Name : 2-Nitrooxy-1-butanol
CAS : ***
Smiles :CCC(O[N+](=O)[O-])CO
InChI=1S/C4H9NO4/c1-2-4(3-6)9-5(7)8/h4,6H,2-3H2,1H3
Cl reactions
OH reactions

Formula : CH3CH(ONO2)CH2CH2OH
Name : 3-Nitrooxy-1-butanol
CAS : ***
Smiles :CC(O[N+](=O)[O-])CCO
InChI=1S/C4H9NO4/c1-4(2-3-6)9-5(7)8/h4,6H,2-3H2,1H3
Cl reactions
OH reactions

Formula : CH2(ONO2)CH2CH2CH2OH
Name : 4-Nitrooxy-1-butanol
CAS : ***
Smiles :C(O[N+](=O)[O-])CCCO
InChI=1S/C4H9NO4/c6-3-1-2-4-9-5(7)8/h6H,1-4H2
Cl reactions
OH reactions

Formula : CH3CH(OH)CH2CH2ONO2
Name : 4-Nitrooxy-2-butanol
CAS : ***
Smiles :CC(O)CCO[N+](=O)[O-]
InChI=1S/C4H9NO4/c1-4(6)2-3-9-5(7)8/h4,6H,2-3H2,1H3
Cl reactions
OH reactions

Representation of 2-Amino-2-methyl-1-propanol

Formula : (CH3)2C(NH2)CH2OH
Name : 2-Amino-2-methyl-1-propanol
CAS : 124-68-5
Smiles :OCC(N)(C)C
InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3
OH reactions

Representation of 2-Dimethylaminoethanol

Formula : (CH3)2NCH2CH2OH
Name : 2-Dimethylaminoethanol
CAS : 108-01-0
Smiles :OCCN(C)C
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
O3 reactions
OH reactions

Representation of N-Formyl pyrrolidinone

Formula : HC(O)N(CH2)3C(O)
Name : N-Formyl pyrrolidinone
CAS : ***
Smiles :O=CN1CCCC1(=O)
InChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h4H,1-3H2
OH reactions

Formula : CH3NC(O)C(O)(CH2)2
Name : N-Methyl succinimide
CAS : ***
Smiles :CNC(=O)C(=O)CC1
NO3 reactions
OH reactions

Representation of N-Methyl pyrrolidinone

Formula : CH3N(CH2)3C(O)
Name : N-Methyl pyrrolidinone
CAS : 872-50-4
Smiles :CN1CCC1(=O)
InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3
NO3 reactions
O3 reactions
OH reactions

Representation of trans-2-Hydroxycyclopentyl-1-nitrate

Formula : C5H9O4N
Name : trans-2-Hydroxycyclopentyl-1-nitrate
CAS : ***
Smiles :***
OH reactions

Representation of N,N-Dimethylpropionamide

Formula : (CH3)2NC(O)CH2CH3
Name : N,N-Dimethylpropionamide
CAS : 758-96-3
Smiles :CCC(=O)N(C)C
InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
NO3 reactions
OH reactions

Formula : CH3CH2CH2CH2CH2NO2
Name : 1-Nitropentane
CAS : ***
Smiles :CCCCC[N+](=O)[O-]
InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH2CH2CH2ONO
Name : n-Pentyl Nitrite
CAS : ***
Smiles :CCCCCON=O
InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH2CH2CH2ONO2
Name : 1-Pentyl Nitrate
CAS : ***
Smiles :CCCCCO[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
Cl reactions
OH reactions

Representation of 2,2-Dimethyl-1-propyl Nitrate

Formula : (CH3)3CCH2ONO2
Name : 2,2-Dimethyl-1-propyl Nitrate
CAS : 926-42-1
Smiles :C(C)(C)CCO[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3
OH reactions

Representation of 2-Methyl-1-butyl Nitrate

Formula : CH3CH2CH(CH3)CH2ONO2
Name : 2-Methyl-1-butyl Nitrate
CAS : ***
Smiles :CCC(C)CO[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3
OH reactions

Formula : CH3CH2CH2CH(ONO2)CH3
Name : 2-Pentyl Nitrate
CAS : ***
Smiles :CCCC(C)O[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3
Cl reactions
OH reactions

Representation of 3-Methyl-1-butyl Nitrate

Formula : (CH3)2CHCH2CH2ONO2
Name : 3-Methyl-1-butyl Nitrate
CAS : ***
Smiles :C(C)CCCO[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
OH reactions

Representation of 3-Methyl-2-butyl Nitrate

Formula : (CH3)2CHCH(CH3)ONO2
Name : 3-Methyl-2-butyl Nitrate
CAS : ***
Smiles :C(C)CC(C)O[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3
OH reactions

Formula : CH3CH2CH(ONO2)CH2CH3
Name : 3-Pentyl Nitrate
CAS : ***
Smiles :CCC(CC)O[N+](=O)[O-]
InChI=1S/C5H11NO3/c1-3-5(4-2)9-6(7)8/h5H,3-4H2,1-2H3
OH reactions

Formula : CH3CH2CH2CH(OH)CH2(ONO2)
Name : 1-Nitrooxy-2-pentanol
CAS : ***
Smiles :CCCC(O)C(O[N+](=O)[O-])
InChI=1S/C5H11NO4/c1-2-3-5(7)4-10-6(8)9/h5,7H,2-4H2,1H3
Cl reactions
OH reactions

Formula : CH3CH2CH2CH(ONO2)CH2OH
Name : 2-Nitrooxy-1-pentanol
CAS : ***
Smiles :CCCC(O[N+](=O)[O-])CO
InChI=1S/C5H11NO4/c1-2-3-5(4-7)10-6(8)9/h5,7H,2-4H2,1H3
Cl reactions

Formula : CH3CH(ONO2)CH2CH2CH2OH
Name : 4-Nitrooxy-1-pentanol
CAS : ***
Smiles :CC(O[N+](=O)[O-])CCCO
InChI=1S/C5H11NO4/c1-5(3-2-4-7)10-6(8)9/h5,7H,2-4H2,1H3
Cl reactions
OH reactions

Formula : CH3CH(OH)CH2CH2CH2(ONO2)
Name : 5-Nitrooxy-2-pentanol
CAS : ***
Smiles :CC(O)CCC(O[N+](=O)[O-])
InChI=1S/C5H11NO4/c1-5(7)3-2-4-10-6(8)9/h5,7H,2-4H2,1H3
Cl reactions
OH reactions

Formula : C6H5NO2
Name : Nitrobenzene
CAS : 98-95-3
Smiles :N(=O)(=O)c(cccc1)c1
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
Cl reactions
O3 reactions
OH reactions

Formula : O2NC6H4OH
Name : 2-Nitrophenol
CAS : 88-75-5
Smiles :N(=O)(=O)c(c(O)ccc1)c1
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
NO3 reactions

Representation of 2-Oxo-cyclohexyl-1-nitrate

Formula : C6H9O4N
Name : 2-Oxo-cyclohexyl-1-nitrate
CAS : ***
Smiles :***
OH reactions

Formula : CH3(CH2)3CH(CH3)ONO2
Name : 2-Hexyl Nitrate
CAS : ***
Smiles :CCCCC(C)O[N+](=O)[O-]
InChI=1S/C6H13NO3/c1-3-4-5-6(2)10-7(8)9/h6H,3-5H2,1-2H3
OH reactions

Representation of 2-Methyl-2-pentyl Nitrate

Formula : CH3CH2CH2C(ONO2)(CH3)2
Name : 2-Methyl-2-pentyl Nitrate
CAS : ***
Smiles :CCCC(C)(C)O[N+](=O)[O-]
InChI=1S/C6H13NO3/c1-4-5-6(2,3)10-7(8)9/h4-5H2,1-3H3
OH reactions

Formula : CH3(CH2)2CH(ONO2)CH2CH3
Name : 3-Hexyl Nitrate
CAS : ***
Smiles :CCCC(CC)O[N+](=O)[O-]
InChI=1S/C6H13NO3/c1-3-5-6(4-2)10-7(8)9/h6H,3-5H2,1-2H3
OH reactions

Representation of 3-Methyl-2-pentyl Nitrate

Formula : CH3CH2CH(CH3)CH(ONO2)CH3
Name : 3-Methyl-2-pentyl Nitrate
CAS : ***
Smiles :CCC(C)C(C)O[N+](=O)[O-]
InChI=1S/C6H13NO3/c1-4-5(2)6(3)10-7(8)9/h5-6H,4H2,1-3H3
OH reactions

Formula : CH2(ONO2)CH2CH2CH2CH2CH2OH
Name : 6-Nitrooxy-1-hexanol
CAS : ***
Smiles :C(O[N+](=O)[O-])CCCCCO
InChI=1S/C6H13NO4/c8-5-3-1-2-4-6-11-7(9)10/h8H,1-6H2
Cl reactions
OH reactions

Formula : CH3C6H4NO2
Name : 3-Nitrotoluene
CAS : 99-08-1
Smiles :N(=O)(=O)c(cccc1C)c1
InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
OH reactions

Formula : c-C6H9NO2
Name : 1-Nitrocyclohexene
CAS : ***
Smiles :C1CCCCC1[N+](=O)[O-]
InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
OH reactions

Representation of trans-1-Methylcyclohexyl-1,2-dinitrate

Formula : C7H12O6N
Name : trans-1-Methylcyclohexyl-1,2-dinitrate
CAS : ***
Smiles :***
OH reactions

Formula : CH3(CH2)3CH2CH(ONO2)CH3
Name : 2-Heptyl Nitrate
CAS : ***
Smiles :CCCCCC(C)O[N+](=O)[O-]
InChI=1S/C7H15NO3/c1-3-4-5-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3
Cl reactions

Formula : CH3(CH2)3CH(ONO2)CH2CH3
Name : 3-Heptyl Nitrate
CAS : ***
Smiles :CCCCC(CC)O[N+](=O)[O-]
InChI=1S/C7H15NO3/c1-3-5-6-7(4-2)11-8(9)10/h7H,3-6H2,1-2H3
OH reactions

Representation of 1,1,4-trimethyl-3-oxapentyl nitrate

Formula : (CH3)2CHOCH2C(CH3)2(ONO2)
Name : 1,1,4-trimethyl-3-oxapentyl nitrate
CAS :
Smiles :
OH reactions

Formula : cyclo-[CH2(CH2)4CH]ONO2
Name : Cyclohexyl Nitrate
CAS : 2108-66-9
Smiles :C1CCCCC1O[N+](=O)[O-]
InChI=1S/C6H11NO3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2
OH reactions

Formula : CH3(CH2)4CH(ONO2)CH2CH3
Name : 3-Octyl Nitrate
CAS : ***
Smiles :CCCCCC(CC)O[N+](=O)[O-]
InChI=1S/C8H17NO3/c1-3-5-6-7-8(4-2)12-9(10)11/h8H,3-7H2,1-2H3
OH reactions

Formula : C10H7NO2
Name : 1-Nitronaphthalene
CAS : 86-57-7
Smiles :N(=O)(=O)c(c(c(ccc1)cc2)c1)c2
InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
NO3 reactions
O3 reactions
OH reactions

Formula : C10H7NO2
Name : 2-Nitronaphthalene
CAS : 581-89-5
Smiles :O=N(=O)c2ccc1ccccc1c2
InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
NO3 reactions
O3 reactions
OH reactions

Representation of 2-Methyl-1-Nitronaphthalene

Formula : CH3C10H6NO2
Name : 2-Methyl-1-Nitronaphthalene
CAS : 881-03-8
Smiles :O=N(=O)c(c(c(ccc1)cc2)c1)c2C
InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
NO3 reactions
O3 reactions
OH reactions