Monday, April 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2,2-dibromo-1-(4-isobutylphenyl)propan-1-one
CAS Name: 2,2-dibromo-1-[4-(2-methylpropyl)phenyl]-1-propanone
IUPAC NAME: 2,2-dibromo-1-[4-(2-methylpropyl)phenyl]propan-1-one
SYSTEMATIC NAME: 2,2-bis(bromanyl)-1-[4-(2-methylpropyl)phenyl]propan-1-one
MOLECULAR FORMULA: C13H16Br2O
MOLECULAR WEIGHT: 348.07354
SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C(C)(Br)Br
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Product OPENEYE NAME: 2-hydroxy-2-(4-isobutylphenyl)acetic acid
CAS Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
IUPAC NAME: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-(2-methylpropyl)phenyl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(C)CC1=CC=C(C=C1)C(C(=O)O)O
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Product OPENEYE NAME: 2-hydroxy-2-(4-isobutylphenyl)butanoic acid
CAS Name: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]butanoic acid
IUPAC NAME: 2-hydroxy-2-[4-(2-methylpropyl)phenyl]butanoic acid
SYSTEMATIC NAME: 2-[4-(2-methylpropyl)phenyl]-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C14H20O3
MOLECULAR WEIGHT: 236.3068
SMILES: CCC(C1=CC=C(C=C1)CC(C)C)(C(=O)O)O
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Product OPENEYE NAME: sodium [5-chloro-2-oxo-3-(thiophene-2-carbonyl)indoline-1-carbonyl]azanide
CAS Name: sodium [[5-chloro-2-oxo-3-[oxo(thiophen-2-yl)methyl]-3H-indol-1-yl]-oxomethyl]azanide
IUPAC NAME: sodium [5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carbonyl]azanide
SYSTEMATIC NAME: sodium (5-chloranyl-2-oxidanylidene-3-thiophen-2-ylcarbonyl-3H-indol-1-yl)carbonylazanide
MOLECULAR FORMULA: C14H8ClN2NaO3S
MOLECULAR WEIGHT: 342.73269
SMILES: C1=CSC(=C1)C(=O)C2C3=C(C=CC(=C3)Cl)N(C2=O)C(=O)[NH-].[Na+]
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Product OPENEYE NAME: 5-methyl-2-oxo-indoline-1-carboxamide
CAS Name: 5-methyl-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5-methyl-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 5-methyl-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CC1=CC2=C(C=C1)N(C(=O)C2)C(=O)N
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Product OPENEYE NAME: 5-methoxy-2-oxo-indoline-1-carboxamide
CAS Name: 5-methoxy-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5-methoxy-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 5-methoxy-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: COC1=CC2=C(C=C1)N(C(=O)C2)C(=O)N
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Product OPENEYE NAME: 5,6-dichloro-2-oxo-indoline-1-carboxamide
CAS Name: 5,6-dichloro-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5,6-dichloro-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 5,6-bis(chloranyl)-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C9H6Cl2N2O2
MOLECULAR WEIGHT: 245.06214
SMILES: C1C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)Cl
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Product OPENEYE NAME: 2-oxo-6-(trifluoromethyl)indoline-1-carboxamide
CAS Name: 2-oxo-6-(trifluoromethyl)-3H-indole-1-carboxamide
IUPAC NAME: 2-oxo-6-(trifluoromethyl)-3H-indole-1-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-6-(trifluoromethyl)-3H-indole-1-carboxamide
MOLECULAR FORMULA: C10H7F3N2O2
MOLECULAR WEIGHT: 244.16999
SMILES: C1C2=C(C=C(C=C2)C(F)(F)F)N(C1=O)C(=O)N
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Product OPENEYE NAME: 5-nitro-2-oxo-indoline-1-carboxamide
CAS Name: 5-nitro-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5-nitro-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 5-nitro-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C9H7N3O4
MOLECULAR WEIGHT: 221.16958
SMILES: C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)C(=O)N
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Product OPENEYE NAME: 6-chloro-5-fluoro-2-oxo-indoline-1-carboxamide
CAS Name: 6-chloro-5-fluoro-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 6-chloro-5-fluoro-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 6-chloranyl-5-fluoranyl-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C9H6ClFN2O2
MOLECULAR WEIGHT: 228.607543
SMILES: C1C2=CC(=C(C=C2N(C1=O)C(=O)N)Cl)F
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Product OPENEYE NAME: 5-benzoyl-2-oxo-indoline-1-carboxamide
CAS Name: 5-benzoyl-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5-benzoyl-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-5-(phenylcarbonyl)-3H-indole-1-carboxamide
MOLECULAR FORMULA: C16H12N2O3
MOLECULAR WEIGHT: 280.27808
SMILES: C1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N(C1=O)C(=O)N
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Product OPENEYE NAME: 5-acetyl-2-oxo-indoline-1-carboxamide
CAS Name: 5-acetyl-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5-acetyl-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 5-ethanoyl-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CC(=O)C1=CC2=C(C=C1)N(C(=O)C2)C(=O)N
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Product OPENEYE NAME: 2-oxo-5-(thiophene-2-carbonyl)indoline-1-carboxamide
CAS Name: 2-oxo-5-[oxo(thiophen-2-yl)methyl]-3H-indole-1-carboxamide
IUPAC NAME: 2-oxo-5-(thiophene-2-carbonyl)-3H-indole-1-carboxamide
SYSTEMATIC NAME: 2-oxidanylidene-5-thiophen-2-ylcarbonyl-3H-indole-1-carboxamide
MOLECULAR FORMULA: C14H10N2O3S
MOLECULAR WEIGHT: 286.3058
SMILES: C1C2=C(C=CC(=C2)C(=O)C3=CC=CS3)N(C1=O)C(=O)N
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Product OPENEYE NAME: 5-amino-2-oxo-indoline-1-carboxamide
CAS Name: 5-amino-2-oxo-3H-indole-1-carboxamide
IUPAC NAME: 5-amino-2-oxo-3H-indole-1-carboxamide
SYSTEMATIC NAME: 5-azanyl-2-oxidanylidene-3H-indole-1-carboxamide
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: C1C2=C(C=CC(=C2)N)N(C1=O)C(=O)N
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Product OPENEYE NAME: 2-(2-ureidophenyl)acetic acid
CAS Name: 2-[2-(carbamoylamino)phenyl]acetic acid
IUPAC NAME: 2-[2-(carbamoylamino)phenyl]acetic acid
SYSTEMATIC NAME: 2-[2-(aminocarbonylamino)phenyl]ethanoic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: C1=CC=C(C(=C1)CC(=O)O)NC(=O)N
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