Product OPENEYE NAME: 3-nitrobenzamide
CAS Name: 3-nitrobenzamide
IUPAC NAME: 3-nitrobenzamide
SYSTEMATIC NAME: 3-nitrobenzamide
MOLECULAR FORMULA: C7H6N2O3
MOLECULAR WEIGHT: 166.13414
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N
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Product OPENEYE NAME: 5-nitrofuran-2-carboxylic acid
CAS Name: 5-nitro-2-furancarboxylic acid
IUPAC NAME: 5-nitrofuran-2-carboxylic acid
SYSTEMATIC NAME: 5-nitrofuran-2-carboxylic acid
MOLECULAR FORMULA: C5H3NO5
MOLECULAR WEIGHT: 157.08102
SMILES: C1=C(OC(=C1)[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 1-(4-isopropylphenyl)ethanone
CAS Name: 1-(4-propan-2-ylphenyl)ethanone
IUPAC NAME: 1-(4-propan-2-ylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-propan-2-ylphenyl)ethanone
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC(C)C1=CC=C(C=C1)C(=O)C
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Product OPENEYE NAME: N2-(4-chlorophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CAS Name: N2-(4-chlorophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N-(4-chlorophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-(4-chlorophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C10H10ClN5
MOLECULAR WEIGHT: 235.6729
SMILES: CC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)N
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Product OPENEYE NAME: 4-propylphenol
CAS Name: 4-propylphenol
IUPAC NAME: 4-propylphenol
SYSTEMATIC NAME: 4-propylphenol
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CCCC1=CC=C(C=C1)O
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Product OPENEYE NAME: 3-phenylpropanenitrile
CAS Name: 3-phenylpropanenitrile
IUPAC NAME: 3-phenylpropanenitrile
SYSTEMATIC NAME: 3-phenylpropanenitrile
MOLECULAR FORMULA: C9H9N
MOLECULAR WEIGHT: 131.17446
SMILES: C1=CC=C(C=C1)CCC#N
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Product OPENEYE NAME: 2-ethylhex-2-enal
CAS Name: 2-ethyl-2-hexenal
IUPAC NAME: 2-ethylhex-2-enal
SYSTEMATIC NAME: 2-ethylhex-2-enal
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCCC=C(CC)C=O
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Product OPENEYE NAME: 2,6-diamino-1H-1,3,5-triazin-4-one
CAS Name: 2,6-diamino-1H-1,3,5-triazin-4-one
IUPAC NAME: 2,6-diamino-1H-1,3,5-triazin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-1H-1,3,5-triazin-4-one
MOLECULAR FORMULA: C3H5N5O
MOLECULAR WEIGHT: 127.1047
SMILES: C1(=NC(=O)N=C(N1)N)N
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Product OPENEYE NAME: 6-amino-1H-1,3,5-triazine-2,4-dione
CAS Name: 6-amino-1H-1,3,5-triazine-2,4-dione
IUPAC NAME: 6-amino-1H-1,3,5-triazine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1H-1,3,5-triazine-2,4-dione
MOLECULAR FORMULA: C3H4N4O2
MOLECULAR WEIGHT: 128.08946
SMILES: C1(=NC(=O)NC(=O)N1)N
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Product OPENEYE NAME: pent-2-ene
CAS Name: 2-pentene
IUPAC NAME: pent-2-ene
SYSTEMATIC NAME: pent-2-ene
MOLECULAR FORMULA: C5H10
MOLECULAR WEIGHT: 70.1329
SMILES: CCC=CC
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Product OPENEYE NAME: 1,3-dioxolane
CAS Name: 1,3-dioxolane
IUPAC NAME: 1,3-dioxolane
SYSTEMATIC NAME: 1,3-dioxolane
MOLECULAR FORMULA: C3H6O2
MOLECULAR WEIGHT: 74.07854
SMILES: C1COCO1
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Product OPENEYE NAME: 4-methylpentanoic acid
CAS Name: 4-methylpentanoic acid
IUPAC NAME: 4-methylpentanoic acid
SYSTEMATIC NAME: 4-methylpentanoic acid
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(C)CCC(=O)O
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Product OPENEYE NAME: isobutyl octadecanoate
CAS Name: octadecanoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl octadecanoate
SYSTEMATIC NAME: 2-methylpropyl octadecanoate
MOLECULAR FORMULA: C22H44O2
MOLECULAR WEIGHT: 340.58356
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
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Product OPENEYE NAME: 1-nitrohexane
CAS Name: 1-nitrohexane
IUPAC NAME: 1-nitrohexane
SYSTEMATIC NAME: 1-nitrohexane
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCCCCC[N+](=O)[O-]
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Product OPENEYE NAME: heptanedinitrile
CAS Name: heptanedinitrile
IUPAC NAME: heptanedinitrile
SYSTEMATIC NAME: heptanedinitrile
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: C(CCC#N)CCC#N
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Product OPENEYE NAME: nonadecanoic acid
CAS Name: nonadecanoic acid
IUPAC NAME: nonadecanoic acid
SYSTEMATIC NAME: nonadecanoic acid
MOLECULAR FORMULA: C19H38O2
MOLECULAR WEIGHT: 298.50382
SMILES: CCCCCCCCCCCCCCCCCCC(=O)O
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Product OPENEYE NAME: tetracosane
CAS Name: tetracosane
IUPAC NAME: tetracosane
SYSTEMATIC NAME: tetracosane
MOLECULAR FORMULA: C24H50
MOLECULAR WEIGHT: 338.6538
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CAS Name: sulfuric acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C19H28O5S
MOLECULAR WEIGHT: 368.48762
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C
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Product OPENEYE NAME: 13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Name: 13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC NAME: 13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C18H22O2
MOLECULAR WEIGHT: 270.36608
SMILES: CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O
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