Product OPENEYE NAME: 1-methylpyrrolidin-2-one
CAS Name: 1-methyl-2-pyrrolidinone
IUPAC NAME: 1-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-methylpyrrolidin-2-one
MOLECULAR FORMULA: C5H9NO
MOLECULAR WEIGHT: 99.13106
SMILES: CN1CCCC1=O
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Product OPENEYE NAME: 2-ethylthiophene
CAS Name: 2-ethylthiophene
IUPAC NAME: 2-ethylthiophene
SYSTEMATIC NAME: 2-ethylthiophene
MOLECULAR FORMULA: C6H8S
MOLECULAR WEIGHT: 112.19272
SMILES: CCC1=CC=CS1
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Product OPENEYE NAME: pyridine-4-carbaldehyde
CAS Name: 4-pyridinecarboxaldehyde
IUPAC NAME: pyridine-4-carbaldehyde
SYSTEMATIC NAME: pyridine-4-carbaldehyde
MOLECULAR FORMULA: C6H5NO
MOLECULAR WEIGHT: 107.11
SMILES: C1=CN=CC=C1C=O
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Product OPENEYE NAME: 2,4,5-trichloro-1-methyl-imidazole
CAS Name: 2,4,5-trichloro-1-methylimidazole
IUPAC NAME: 2,4,5-trichloro-1-methylimidazole
SYSTEMATIC NAME: 2,4,5-tris(chloranyl)-1-methyl-imidazole
MOLECULAR FORMULA: C4H3Cl3N2
MOLECULAR WEIGHT: 185.43902
SMILES: CN1C(=C(N=C1Cl)Cl)Cl
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Product OPENEYE NAME: 2-chlorobenzonitrile
CAS Name: 2-chlorobenzonitrile
IUPAC NAME: 2-chlorobenzonitrile
SYSTEMATIC NAME: 2-chloranylbenzenecarbonitrile
MOLECULAR FORMULA: C7H4ClN
MOLECULAR WEIGHT: 137.56636
SMILES: C1=CC=C(C(=C1)C#N)Cl
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Product OPENEYE NAME: N-(3-methylpyrazol-1-yl)formamide
CAS Name: N-(3-methyl-1-pyrazolyl)formamide
IUPAC NAME: N-(3-methylpyrazol-1-yl)formamide
SYSTEMATIC NAME: N-(3-methylpyrazol-1-yl)methanamide
MOLECULAR FORMULA: C5H7N3O
MOLECULAR WEIGHT: 125.12858
SMILES: CC1=NN(C=C1)NC=O
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Product OPENEYE NAME: 3-hydroxybenzonitrile
CAS Name: 3-hydroxybenzonitrile
IUPAC NAME: 3-hydroxybenzonitrile
SYSTEMATIC NAME: 3-oxidanylbenzenecarbonitrile
MOLECULAR FORMULA: C7H5NO
MOLECULAR WEIGHT: 119.1207
SMILES: C1=CC(=CC(=C1)O)C#N
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Product OPENEYE NAME: 4-aminobenzonitrile
CAS Name: 4-aminobenzonitrile
IUPAC NAME: 4-aminobenzonitrile
SYSTEMATIC NAME: 4-azanylbenzenecarbonitrile
MOLECULAR FORMULA: C7H6N2
MOLECULAR WEIGHT: 118.13594
SMILES: C1=CC(=CC=C1C#N)N
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Product OPENEYE NAME: (4-chlorophenyl)methanol
CAS Name: (4-chlorophenyl)methanol
IUPAC NAME: (4-chlorophenyl)methanol
SYSTEMATIC NAME: (4-chlorophenyl)methanol
MOLECULAR FORMULA: C7H7ClO
MOLECULAR WEIGHT: 142.58288
SMILES: C1=CC(=CC=C1CO)Cl
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Product OPENEYE NAME: 3,3,5-trimethylcyclohexanone
CAS Name: 3,3,5-trimethyl-1-cyclohexanone
IUPAC NAME: 3,3,5-trimethylcyclohexan-1-one
SYSTEMATIC NAME: 3,3,5-trimethylcyclohexan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC1CC(=O)CC(C1)(C)C
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Product OPENEYE NAME: 1H-indazol-3-amine
CAS Name: 1H-indazol-3-amine
IUPAC NAME: 1H-indazol-3-amine
SYSTEMATIC NAME: 1H-indazol-3-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CC=C2C(=C1)C(=NN2)N
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Product OPENEYE NAME: 2-acetylcyclohexanone
CAS Name: 2-acetyl-1-cyclohexanone
IUPAC NAME: 2-acetylcyclohexan-1-one
SYSTEMATIC NAME: 2-ethanoylcyclohexan-1-one
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: CC(=O)C1CCCCC1=O
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Product OPENEYE NAME: 3-hydroxypyridine-2-carboxylic acid
CAS Name: 3-hydroxy-2-pyridinecarboxylic acid
IUPAC NAME: 3-hydroxypyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-oxidanylpyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H5NO3
MOLECULAR WEIGHT: 139.1088
SMILES: C1=CC(=C(N=C1)C(=O)O)O
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Product OPENEYE NAME: 5-methylindane
CAS Name: 5-methyl-2,3-dihydro-1H-indene
IUPAC NAME: 5-methyl-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 5-methyl-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CC1=CC2=C(CCC2)C=C1
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Product OPENEYE NAME: 1-ethyl-2,4-dimethyl-benzene
CAS Name: 1-ethyl-2,4-dimethylbenzene
IUPAC NAME: 1-ethyl-2,4-dimethylbenzene
SYSTEMATIC NAME: 1-ethyl-2,4-dimethyl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CCC1=C(C=C(C=C1)C)C
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Product OPENEYE NAME: 2,4-dichlorobenzaldehyde
CAS Name: 2,4-dichlorobenzaldehyde
IUPAC NAME: 2,4-dichlorobenzaldehyde
SYSTEMATIC NAME: 2,4-bis(chloranyl)benzaldehyde
MOLECULAR FORMULA: C7H4Cl2O
MOLECULAR WEIGHT: 175.01206
SMILES: C1=CC(=C(C=C1Cl)Cl)C=O
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Product OPENEYE NAME: 4-methylbenzoyl chloride
CAS Name: 4-methylbenzoyl chloride
IUPAC NAME: 4-methylbenzoyl chloride
SYSTEMATIC NAME: 4-methylbenzoyl chloride
MOLECULAR FORMULA: C8H7ClO
MOLECULAR WEIGHT: 154.59358
SMILES: CC1=CC=C(C=C1)C(=O)Cl
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Product OPENEYE NAME: 1-cyclohexylidenepropan-2-one
CAS Name: 1-cyclohexylidene-2-propanone
IUPAC NAME: 1-cyclohexylidenepropan-2-one
SYSTEMATIC NAME: 1-cyclohexylidenepropan-2-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC(=O)C=C1CCCCC1
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Product OPENEYE NAME: propylsulfanylbenzene
CAS Name: (propylthio)benzene
IUPAC NAME: propylsulfanylbenzene
SYSTEMATIC NAME: propylsulfanylbenzene
MOLECULAR FORMULA: C9H12S
MOLECULAR WEIGHT: 152.25658
SMILES: CCCSC1=CC=CC=C1
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Product OPENEYE NAME: 1,2-dimethylindole
CAS Name: 1,2-dimethylindole
IUPAC NAME: 1,2-dimethylindole
SYSTEMATIC NAME: 1,2-dimethylindole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=CC2=CC=CC=C2N1C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC1(C2C3C2C(=O)C1(C3)C)C
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Product OPENEYE NAME: (4-chlorophenyl) acetate
CAS Name: acetic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) acetate
SYSTEMATIC NAME: (4-chlorophenyl) ethanoate
MOLECULAR FORMULA: C8H7ClO2
MOLECULAR WEIGHT: 170.59298
SMILES: CC(=O)OC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 1,2,4,5-tetrachloro-3,6-dimethyl-benzene
CAS Name: 1,2,4,5-tetrachloro-3,6-dimethylbenzene
IUPAC NAME: 1,2,4,5-tetrachloro-3,6-dimethylbenzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(chloranyl)-3,6-dimethyl-benzene
MOLECULAR FORMULA: C8H6Cl4
MOLECULAR WEIGHT: 243.94524
SMILES: CC1=C(C(=C(C(=C1Cl)Cl)C)Cl)Cl
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