Product OPENEYE NAME: isocyanobenzene
CAS Name: isocyanobenzene
IUPAC NAME: isocyanobenzene
SYSTEMATIC NAME: isocyanobenzene
MOLECULAR FORMULA: C7H5N
MOLECULAR WEIGHT: 103.1213
SMILES: [C-]#[N+]C1=CC=CC=C1
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Product OPENEYE NAME: methoxycyclohexane
CAS Name: methoxycyclohexane
IUPAC NAME: methoxycyclohexane
SYSTEMATIC NAME: methoxycyclohexane
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: COC1CCCCC1
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Product OPENEYE NAME: bicyclo[2.2.2]oct-2-ene
CAS Name: bicyclo[2.2.2]oct-2-ene
IUPAC NAME: bicyclo[2.2.2]oct-2-ene
SYSTEMATIC NAME: bicyclo[2.2.2]oct-2-ene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: C1CC2CCC1C=C2
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Product OPENEYE NAME: cyclooctene
CAS Name: cyclooctene
IUPAC NAME: cyclooctene
SYSTEMATIC NAME: cyclooctene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C1CCCC=CCC1
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Product OPENEYE NAME: 1-hydroxycyclohexanecarbonitrile
CAS Name: 1-hydroxy-1-cyclohexanecarbonitrile
IUPAC NAME: 1-hydroxycyclohexane-1-carbonitrile
SYSTEMATIC NAME: 1-oxidanylcyclohexane-1-carbonitrile
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: C1CCC(CC1)(C#N)O
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Product OPENEYE NAME: 5-amino-1H-pyrimidine-2,4-dione
CAS Name: 5-amino-1H-pyrimidine-2,4-dione
IUPAC NAME: 5-amino-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-azanyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: C1=C(C(=O)NC(=O)N1)N
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Product OPENEYE NAME: 1-(cyclohexen-1-yl)ethanone
CAS Name: 1-(1-cyclohexenyl)ethanone
IUPAC NAME: 1-(cyclohexen-1-yl)ethanone
SYSTEMATIC NAME: 1-(cyclohexen-1-yl)ethanone
MOLECULAR FORMULA: C8H12O
MOLECULAR WEIGHT: 124.18028
SMILES: CC(=O)C1=CCCCC1
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Product OPENEYE NAME: 1-nitrosoazepane
CAS Name: 1-nitrosoazepane
IUPAC NAME: 1-nitrosoazepane
SYSTEMATIC NAME: 1-nitrosoazepane
MOLECULAR FORMULA: C6H12N2O
MOLECULAR WEIGHT: 128.17228
SMILES: C1CCCN(CC1)N=O
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Product OPENEYE NAME: 1-chloro-4-nitroso-benzene
CAS Name: 1-chloro-4-nitrosobenzene
IUPAC NAME: 1-chloro-4-nitrosobenzene
SYSTEMATIC NAME: 1-chloranyl-4-nitroso-benzene
MOLECULAR FORMULA: C6H4ClNO
MOLECULAR WEIGHT: 141.55506
SMILES: C1=CC(=CC=C1N=O)Cl
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Product OPENEYE NAME: 4,6-dichloro-1,3,5-triazin-2-amine
CAS Name: 4,6-dichloro-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dichloro-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C3H2Cl2N4
MOLECULAR WEIGHT: 164.98078
SMILES: C1(=NC(=NC(=N1)Cl)Cl)N
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Product OPENEYE NAME: 1,1-dimethoxycyclohexane
CAS Name: 1,1-dimethoxycyclohexane
IUPAC NAME: 1,1-dimethoxycyclohexane
SYSTEMATIC NAME: 1,1-dimethoxycyclohexane
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: COC1(CCCCC1)OC
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Product OPENEYE NAME: 2,2,4,4-tetramethylcyclobutane-1,3-dione
CAS Name: 2,2,4,4-tetramethylcyclobutane-1,3-dione
IUPAC NAME: 2,2,4,4-tetramethylcyclobutane-1,3-dione
SYSTEMATIC NAME: 2,2,4,4-tetramethylcyclobutane-1,3-dione
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC1(C(=O)C(C1=O)(C)C)C
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Product OPENEYE NAME: 2,3,6-trichlorophenol
CAS Name: 2,3,6-trichlorophenol
IUPAC NAME: 2,3,6-trichlorophenol
SYSTEMATIC NAME: 2,3,6-tris(chloranyl)phenol
MOLECULAR FORMULA: C6H3Cl3O
MOLECULAR WEIGHT: 197.44642
SMILES: C1=CC(=C(C(=C1Cl)O)Cl)Cl
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Product OPENEYE NAME: 2,3,5-trichlorophenol
CAS Name: 2,3,5-trichlorophenol
IUPAC NAME: 2,3,5-trichlorophenol
SYSTEMATIC NAME: 2,3,5-tris(chloranyl)phenol
MOLECULAR FORMULA: C6H3Cl3O
MOLECULAR WEIGHT: 197.44642
SMILES: C1=C(C=C(C(=C1Cl)Cl)O)Cl
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Product OPENEYE NAME: 5-bromo-1-methyl-4-nitro-imidazole
CAS Name: 5-bromo-1-methyl-4-nitroimidazole
IUPAC NAME: 5-bromo-1-methyl-4-nitroimidazole
SYSTEMATIC NAME: 5-bromanyl-1-methyl-4-nitro-imidazole
MOLECULAR FORMULA: C4H4BrN3O2
MOLECULAR WEIGHT: 205.99746
SMILES: CN1C=NC(=C1Br)[N+](=O)[O-]
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Product OPENEYE NAME: 1-ethyl-2,3-dimethyl-benzene
CAS Name: 1-ethyl-2,3-dimethylbenzene
IUPAC NAME: 1-ethyl-2,3-dimethylbenzene
SYSTEMATIC NAME: 1-ethyl-2,3-dimethyl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=CC=CC(=C1C)C
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Product OPENEYE NAME: 3-methoxybenzene-1,2-diol
CAS Name: 3-methoxybenzene-1,2-diol
IUPAC NAME: 3-methoxybenzene-1,2-diol
SYSTEMATIC NAME: 3-methoxybenzene-1,2-diol
MOLECULAR FORMULA: C7H8O3
MOLECULAR WEIGHT: 140.13662
SMILES: COC1=CC=CC(=C1O)O
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Product OPENEYE NAME: 3H-benzimidazol-5-amine
CAS Name: 3H-benzimidazol-5-amine
IUPAC NAME: 3H-benzimidazol-5-amine
SYSTEMATIC NAME: 3H-benzimidazol-5-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CC2=C(C=C1N)NC=N2
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Product OPENEYE NAME: 1H-benzimidazol-2-amine
CAS Name: 1H-benzimidazol-2-amine
IUPAC NAME: 1H-benzimidazol-2-amine
SYSTEMATIC NAME: 1H-benzimidazol-2-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CC=C2C(=C1)NC(=N2)N
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Product OPENEYE NAME: 3H-1,3-benzothiazol-2-one
CAS Name: 3H-1,3-benzothiazol-2-one
IUPAC NAME: 3H-1,3-benzothiazol-2-one
SYSTEMATIC NAME: 3H-1,3-benzothiazol-2-one
MOLECULAR FORMULA: C7H5NOS
MOLECULAR WEIGHT: 151.1857
SMILES: C1=CC=C2C(=C1)NC(=O)S2
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Product OPENEYE NAME: 1-chloro-4-methylsulfinyl-benzene
CAS Name: 1-chloro-4-methylsulfinylbenzene
IUPAC NAME: 1-chloro-4-methylsulfinylbenzene
SYSTEMATIC NAME: 1-chloranyl-4-methylsulfinyl-benzene
MOLECULAR FORMULA: C7H7ClOS
MOLECULAR WEIGHT: 174.64788
SMILES: CS(=O)C1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 1-ethyl-3,5-dimethyl-benzene
CAS Name: 1-ethyl-3,5-dimethylbenzene
IUPAC NAME: 1-ethyl-3,5-dimethylbenzene
SYSTEMATIC NAME: 1-ethyl-3,5-dimethyl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=CC(=CC(=C1)C)C
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Product OPENEYE NAME: 6-ethyl-1,3,5-triazine-2,4-diamine
CAS Name: 6-ethyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-ethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-ethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C5H9N5
MOLECULAR WEIGHT: 139.15846
SMILES: CCC1=NC(=NC(=N1)N)N
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Product OPENEYE NAME: 4-ethyl-1,2-dimethyl-benzene
CAS Name: 4-ethyl-1,2-dimethylbenzene
IUPAC NAME: 4-ethyl-1,2-dimethylbenzene
SYSTEMATIC NAME: 4-ethyl-1,2-dimethyl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=CC(=C(C=C1)C)C
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