Sunday, July 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-hydroxy-1-(3-methylsulfonyl-5-nitro-phenyl)ethanone
CAS Name: 2-hydroxy-1-(3-methylsulfonyl-5-nitrophenyl)ethanone
IUPAC NAME: 2-hydroxy-1-(3-methylsulfonyl-5-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(3-methylsulfonyl-5-nitro-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C9H9NO6S
MOLECULAR WEIGHT: 259.23586
SMILES: CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CO
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Product OPENEYE NAME: 1-(3-amino-5-methyl-phenyl)-2-hydroxy-2-methyl-propan-1-one
CAS Name: 1-(3-amino-5-methylphenyl)-2-hydroxy-2-methyl-1-propanone
IUPAC NAME: 1-(3-amino-5-methylphenyl)-2-hydroxy-2-methylpropan-1-one
SYSTEMATIC NAME: 1-(3-azanyl-5-methyl-phenyl)-2-methyl-2-oxidanyl-propan-1-one
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC1=CC(=CC(=C1)C(=O)C(C)(C)O)N
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Product OPENEYE NAME: 1-(3-ethyl-5-nitro-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-ethyl-5-nitrophenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-ethyl-5-nitrophenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-ethyl-5-nitro-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CCC1=CC(=CC(=C1)C(=O)CO)[N+](=O)[O-]
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Product OPENEYE NAME: 2-benzyltetrazole-5-carbonyl chloride
CAS Name: 2-(phenylmethyl)-5-tetrazolecarbonyl chloride
IUPAC NAME: 2-benzyltetrazole-5-carbonyl chloride
SYSTEMATIC NAME: 2-(phenylmethyl)-1,2,3,4-tetrazole-5-carbonyl chloride
MOLECULAR FORMULA: C9H7ClN4O
MOLECULAR WEIGHT: 222.63108
SMILES: C1=CC=C(C=C1)CN2N=C(N=N2)C(=O)Cl
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Product OPENEYE NAME: 1-(3-amino-5-methylsulfonyl-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-amino-5-methylsulfonylphenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-amino-5-methylsulfonylphenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-methylsulfonyl-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: CS(=O)(=O)C1=CC(=CC(=C1)N)C(=O)CO
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Product OPENEYE NAME: N-[5-[(2E)-2-methoxyiminoethyl]-3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene]-2,3-dihydro-1H-tetrazole-5-carboxamide
CAS Name: N-[5-[(2E)-2-methoxyiminoethyl]-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene]-2,3-dihydro-1H-tetrazole-5-carboxamide
IUPAC NAME: N-[5-[(2E)-2-methoxyiminoethyl]-3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene]-2,3-dihydro-1H-tetrazole-5-carboxamide
SYSTEMATIC NAME: N-[5-[(2E)-2-methoxyiminoethyl]-3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-2,3-dihydro-1H-1,2,3,4-tetrazole-5-carboxamide
MOLECULAR FORMULA: C12H14N6O3
MOLECULAR WEIGHT: 290.27796
SMILES: CC1=CC(=NC(=O)C2=NNNN2)C(=O)C(=C1)C/C=N/OC
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Product OPENEYE NAME: (2-amino-3-hydroxy-cyclopropyl)-(m-tolyl)methanone
CAS Name: (2-amino-3-hydroxycyclopropyl)-(3-methylphenyl)methanone
IUPAC NAME: (2-amino-3-hydroxycyclopropyl)-(3-methylphenyl)methanone
SYSTEMATIC NAME: (2-azanyl-3-oxidanyl-cyclopropyl)-(3-methylphenyl)methanone
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: CC1=CC=CC(=C1)C(=O)C2C(C2O)N
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Product OPENEYE NAME: 2-hydroxy-2-methyl-1-(3-methyl-5-nitro-phenyl)propan-1-one
CAS Name: 2-hydroxy-2-methyl-1-(3-methyl-5-nitrophenyl)-1-propanone
IUPAC NAME: 2-hydroxy-2-methyl-1-(3-methyl-5-nitrophenyl)propan-1-one
SYSTEMATIC NAME: 2-methyl-1-(3-methyl-5-nitro-phenyl)-2-oxidanyl-propan-1-one
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CC1=CC(=CC(=C1)C(=O)C(C)(C)O)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 3-hydroxy-5-methyl-1H-tetrazole-2-carboxylate
CAS Name: 3-hydroxy-5-methyl-1H-tetrazole-2-carboxylic acid ethyl ester
IUPAC NAME: ethyl 3-hydroxy-5-methyl-1H-tetrazole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-methyl-3-oxidanyl-1H-1,2,3,4-tetrazole-2-carboxylate
MOLECULAR FORMULA: C5H10N4O3
MOLECULAR WEIGHT: 174.1579
SMILES: CCOC(=O)N1NC(=NN1O)C
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Product OPENEYE NAME: N-[3-amino-5-(2-hydroxyacetyl)phenyl]acetamide
CAS Name: N-[3-amino-5-(2-hydroxy-1-oxoethyl)phenyl]acetamide
IUPAC NAME: N-[3-amino-5-(2-hydroxyacetyl)phenyl]acetamide
SYSTEMATIC NAME: N-[3-azanyl-5-(2-oxidanylethanoyl)phenyl]ethanamide
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CC(=O)NC1=CC(=CC(=C1)N)C(=O)CO
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Product OPENEYE NAME: 1-(3-amino-5-nitro-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-amino-5-nitrophenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-amino-5-nitrophenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-nitro-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: C1=C(C=C(C=C1N)[N+](=O)[O-])C(=O)CO
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Product OPENEYE NAME: 1-methyl-N-phenyl-tetrazole-5-carboxamide
CAS Name: 1-methyl-N-phenyl-5-tetrazolecarboxamide
IUPAC NAME: 1-methyl-N-phenyltetrazole-5-carboxamide
SYSTEMATIC NAME: 1-methyl-N-phenyl-1,2,3,4-tetrazole-5-carboxamide
MOLECULAR FORMULA: C9H9N5O
MOLECULAR WEIGHT: 203.20066
SMILES: CN1C(=NN=N1)C(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 1-(3-amino-5-propyl-phenyl)-2-hydroxy-ethanone
CAS Name: 1-(3-amino-5-propylphenyl)-2-hydroxyethanone
IUPAC NAME: 1-(3-amino-5-propylphenyl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-(3-azanyl-5-propyl-phenyl)-2-oxidanyl-ethanone
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCCC1=CC(=CC(=C1)C(=O)CO)N
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