Product OPENEYE NAME: 5-nitrobenzene-1,3-dicarboxylic acid
CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid
IUPAC NAME: 5-nitrobenzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 5-nitrobenzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C8H5NO6
MOLECULAR WEIGHT: 211.1284
SMILES: C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: methyl 3-bromobenzoate
CAS Name: 3-bromobenzoic acid methyl ester
IUPAC NAME: methyl 3-bromobenzoate
SYSTEMATIC NAME: methyl 3-bromanylbenzoate
MOLECULAR FORMULA: C8H7BrO2
MOLECULAR WEIGHT: 215.04398
SMILES: COC(=O)C1=CC(=CC=C1)Br
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Product OPENEYE NAME: ethyl 4-fluoro-3-iodo-benzoate
CAS Name: 4-fluoro-3-iodobenzoic acid ethyl ester
IUPAC NAME: ethyl 4-fluoro-3-iodobenzoate
SYSTEMATIC NAME: ethyl 4-fluoranyl-3-iodanyl-benzoate
MOLECULAR FORMULA: C9H8FIO2
MOLECULAR WEIGHT: 294.061493
SMILES: CCOC(=O)C1=CC(=C(C=C1)F)I
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Product OPENEYE NAME: 5-isopropenyl-2-methyl-cyclohexanol
CAS Name: 2-methyl-5-(1-methylethenyl)-1-cyclohexanol
IUPAC NAME: 2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: 2-methyl-5-prop-1-en-2-yl-cyclohexan-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1CCC(CC1O)C(=C)C
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Product OPENEYE NAME: 3,4-dimethylbenzoic acid
CAS Name: 3,4-dimethylbenzoic acid
IUPAC NAME: 3,4-dimethylbenzoic acid
SYSTEMATIC NAME: 3,4-dimethylbenzoic acid
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=C(C=C(C=C1)C(=O)O)C
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Product OPENEYE NAME: 2-chloro-4-nitro-phenol
CAS Name: 2-chloro-4-nitrophenol
IUPAC NAME: 2-chloro-4-nitrophenol
SYSTEMATIC NAME: 2-chloranyl-4-nitro-phenol
MOLECULAR FORMULA: C6H4ClNO3
MOLECULAR WEIGHT: 173.55386
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)O
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Product OPENEYE NAME: 2-methyl-1,4-dinitro-benzene
CAS Name: 2-methyl-1,4-dinitrobenzene
IUPAC NAME: 2-methyl-1,4-dinitrobenzene
SYSTEMATIC NAME: 2-methyl-1,4-dinitro-benzene
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-amino-4-nitro-benzoic acid
CAS Name: 2-amino-4-nitrobenzoic acid
IUPAC NAME: 2-amino-4-nitrobenzoic acid
SYSTEMATIC NAME: 2-azanyl-4-nitro-benzoic acid
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)C(=O)O
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Product OPENEYE NAME: 3-formylbenzoic acid
CAS Name: 3-formylbenzoic acid
IUPAC NAME: 3-formylbenzoic acid
SYSTEMATIC NAME: 3-methanoylbenzoic acid
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1=CC(=CC(=C1)C(=O)O)C=O
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Product OPENEYE NAME: 1-(chloromethyl)-3-nitro-benzene
CAS Name: 1-(chloromethyl)-3-nitrobenzene
IUPAC NAME: 1-(chloromethyl)-3-nitrobenzene
SYSTEMATIC NAME: 1-(chloromethyl)-3-nitro-benzene
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCl
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Product OPENEYE NAME: 3-nitrobenzonitrile
CAS Name: 3-nitrobenzonitrile
IUPAC NAME: 3-nitrobenzonitrile
SYSTEMATIC NAME: 3-nitrobenzenecarbonitrile
MOLECULAR FORMULA: C7H4N2O2
MOLECULAR WEIGHT: 148.11886
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C#N
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Product OPENEYE NAME: 1,1-dichloro-2,2-diethoxy-ethane
CAS Name: 1,1-dichloro-2,2-diethoxyethane
IUPAC NAME: 1,1-dichloro-2,2-diethoxyethane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-2,2-diethoxy-ethane
MOLECULAR FORMULA: C6H12Cl2O2
MOLECULAR WEIGHT: 187.06428
SMILES: CCOC(C(Cl)Cl)OCC
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Product OPENEYE NAME: methyl 4-bromobenzoate
CAS Name: 4-bromobenzoic acid methyl ester
IUPAC NAME: methyl 4-bromobenzoate
SYSTEMATIC NAME: methyl 4-bromanylbenzoate
MOLECULAR FORMULA: C8H7BrO2
MOLECULAR WEIGHT: 215.04398
SMILES: COC(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: methyl 4-aminobenzoate
CAS Name: 4-aminobenzoic acid methyl ester
IUPAC NAME: methyl 4-aminobenzoate
SYSTEMATIC NAME: methyl 4-azanylbenzoate
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: COC(=O)C1=CC=C(C=C1)N
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Product OPENEYE NAME: methyl 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid methyl ester
IUPAC NAME: methyl 4-nitrobenzoate
SYSTEMATIC NAME: methyl 4-nitrobenzoate
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chlorobenzamide
CAS Name: 4-chlorobenzamide
IUPAC NAME: 4-chlorobenzamide
SYSTEMATIC NAME: 4-chloranylbenzamide
MOLECULAR FORMULA: C7H6ClNO
MOLECULAR WEIGHT: 155.58164
SMILES: C1=CC(=CC=C1C(=O)N)Cl
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Product OPENEYE NAME: 4-iodobenzoic acid
CAS Name: 4-iodobenzoic acid
IUPAC NAME: 4-iodobenzoic acid
SYSTEMATIC NAME: 4-iodanylbenzoic acid
MOLECULAR FORMULA: C7H5IO2
MOLECULAR WEIGHT: 248.01787
SMILES: C1=CC(=CC=C1C(=O)O)I
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Product OPENEYE NAME: 4-ethylbenzoic acid
CAS Name: 4-ethylbenzoic acid
IUPAC NAME: 4-ethylbenzoic acid
SYSTEMATIC NAME: 4-ethylbenzoic acid
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CCC1=CC=C(C=C1)C(=O)O
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Product OPENEYE NAME: 4-cyanobenzoic acid
CAS Name: 4-cyanobenzoic acid
IUPAC NAME: 4-cyanobenzoic acid
SYSTEMATIC NAME: 4-cyanobenzoic acid
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C1=CC(=CC=C1C#N)C(=O)O
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Product OPENEYE NAME: 4-formylbenzoic acid
CAS Name: 4-formylbenzoic acid
IUPAC NAME: 4-formylbenzoic acid
SYSTEMATIC NAME: 4-methanoylbenzoic acid
MOLECULAR FORMULA: C8H6O3
MOLECULAR WEIGHT: 150.13144
SMILES: C1=CC(=CC=C1C=O)C(=O)O
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Product OPENEYE NAME: 4-hydrazinobenzoic acid
CAS Name: 4-hydrazinylbenzoic acid
IUPAC NAME: 4-hydrazinylbenzoic acid
SYSTEMATIC NAME: 4-diazanylbenzoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=CC=C1C(=O)O)NN
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Product OPENEYE NAME: 4-nitrobenzonitrile
CAS Name: 4-nitrobenzonitrile
IUPAC NAME: 4-nitrobenzonitrile
SYSTEMATIC NAME: 4-nitrobenzenecarbonitrile
MOLECULAR FORMULA: C7H4N2O2
MOLECULAR WEIGHT: 148.11886
SMILES: C1=CC(=CC=C1C#N)[N+](=O)[O-]
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Product OPENEYE NAME: 4-nitrobenzamide
CAS Name: 4-nitrobenzamide
IUPAC NAME: 4-nitrobenzamide
SYSTEMATIC NAME: 4-nitrobenzamide
MOLECULAR FORMULA: C7H6N2O3
MOLECULAR WEIGHT: 166.13414
SMILES: C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(dimethylamino)benzoic acid
CAS Name: 4-(dimethylamino)benzoic acid
IUPAC NAME: 4-(dimethylamino)benzoic acid
SYSTEMATIC NAME: 4-(dimethylamino)benzoic acid
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CN(C)C1=CC=C(C=C1)C(=O)O
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