Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-(1-hydroxy-9-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)acetate
CAS Name: 2-(1-hydroxy-9-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)acetic acid methyl ester
IUPAC NAME: methyl 2-(1-hydroxy-9-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)acetate
SYSTEMATIC NAME: methyl 2-(9-methyl-1-oxidanyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)ethanoate
MOLECULAR FORMULA: C17H18O5
MOLECULAR WEIGHT: 302.32182
SMILES: CC1CCC2=C(C1)C3=C(C=C(C=C3O)CC(=O)OC)OC2=O
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Product OPENEYE NAME: 5-anilino-4,7-dioxo-2,1-benzoxazol-3-olate
CAS Name: 5-anilino-4,7-dioxo-2,1-benzoxazol-3-olate
IUPAC NAME: 5-anilino-4,7-dioxo-2,1-benzoxazol-3-olate
SYSTEMATIC NAME: 4,7-bis(oxidanylidene)-5-phenylazanyl-2,1-benzoxazol-3-olate
MOLECULAR FORMULA: C13H7N2O4-
MOLECULAR WEIGHT: 255.20568
SMILES: C1=CC=C(C=C1)NC2=CC(=O)C3=NOC(=C3C2=O)[O-]
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Product OPENEYE NAME: 5-(4-methylanilino)-4,7-dioxo-2,1-benzoxazol-3-olate
CAS Name: 5-(4-methylanilino)-4,7-dioxo-2,1-benzoxazol-3-olate
IUPAC NAME: 5-(4-methylanilino)-4,7-dioxo-2,1-benzoxazol-3-olate
SYSTEMATIC NAME: 5-[(4-methylphenyl)amino]-4,7-bis(oxidanylidene)-2,1-benzoxazol-3-olate
MOLECULAR FORMULA: C14H9N2O4-
MOLECULAR WEIGHT: 269.23226
SMILES: CC1=CC=C(C=C1)NC2=CC(=O)C3=NOC(=C3C2=O)[O-]
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Product OPENEYE NAME: 4,9-dioxobenzo[f][2,1]benzoxazol-3-olate
CAS Name: 4,9-dioxo-3-benzo[f][2,1]benzoxazololate
IUPAC NAME: 4,9-dioxobenzo[f][2,1]benzoxazol-3-olate
SYSTEMATIC NAME: 4,9-bis(oxidanylidene)benzo[f][2,1]benzoxazol-3-olate
MOLECULAR FORMULA: C11H4NO4-
MOLECULAR WEIGHT: 214.15376
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(ON=C3C2=O)[O-]
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Product OPENEYE NAME: methyl 5-(4-methylanilino)-3,6-dioxo-2-[[oxo-bis(trideuteriomethyl)-$l^{6}-sulfanylidene]amino]cyclohexa-1,4-diene-1-carboxylate
CAS Name: 5-(4-methylanilino)-3,6-dioxo-2-[[oxo-bis(trideuteriomethyl)-$l^{6}-sulfanylidene]amino]-1-cyclohexa-1,4-dienecarboxylic acid methyl ester
IUPAC NAME: methyl 5-(4-methylanilino)-3,6-dioxo-2-[[oxo-bis(trideuteriomethyl)-$l^{6}-sulfanylidene]amino]cyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: methyl 5-[(4-methylphenyl)amino]-3,6-bis(oxidanylidene)-2-[[oxidanylidene-bis(trideuteriomethyl)-$l^{6}-sulfanylidene]amino]cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 368.437191
SMILES: [2H]C([2H])([2H])S(=NC1=C(C(=O)C(=CC1=O)NC2=CC=C(C=C2)C)C(=O)OC)(=O)C([2H])([2H])[2H]
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Product OPENEYE NAME: (3Z)-3-(hydroxymethylene)chroman-4-one
CAS Name: (3Z)-3-(hydroxymethylidene)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (3Z)-3-(hydroxymethylidene)chromen-4-one
SYSTEMATIC NAME: (3Z)-3-(oxidanylmethylidene)chromen-4-one
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: C1/C(=C/O)/C(=O)C2=CC=CC=C2O1
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Product OPENEYE NAME: (3Z)-3-(hydroxymethylene)-7-methoxy-chroman-4-one
CAS Name: (3Z)-3-(hydroxymethylidene)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (3Z)-3-(hydroxymethylidene)-7-methoxychromen-4-one
SYSTEMATIC NAME: (3Z)-7-methoxy-3-(oxidanylmethylidene)chromen-4-one
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: COC1=CC2=C(C=C1)C(=O)/C(=C\O)/CO2
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Product OPENEYE NAME: (3Z)-3-(hydroxymethylene)-4-oxo-2H-quinoline-1-carbaldehyde
CAS Name: (3Z)-3-(hydroxymethylidene)-4-oxo-2H-quinoline-1-carboxaldehyde
IUPAC NAME: (3Z)-3-(hydroxymethylidene)-4-oxo-2H-quinoline-1-carbaldehyde
SYSTEMATIC NAME: (3Z)-4-oxidanylidene-3-(oxidanylmethylidene)-2H-quinoline-1-carbaldehyde
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: C1/C(=C/O)/C(=O)C2=CC=CC=C2N1C=O
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Product OPENEYE NAME: (3E)-2,2,6-trimethyl-3-(pyrrolidin-1-ylmethylene)chroman-4-one
CAS Name: (3E)-2,2,6-trimethyl-3-(1-pyrrolidinylmethylidene)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: (3E)-2,2,6-trimethyl-3-(pyrrolidin-1-ylmethylidene)chromen-4-one
SYSTEMATIC NAME: (3E)-2,2,6-trimethyl-3-(pyrrolidin-1-ylmethylidene)chromen-4-one
MOLECULAR FORMULA: C17H21NO2
MOLECULAR WEIGHT: 271.35414
SMILES: CC1=CC2=C(C=C1)OC(/C(=C\N3CCCC3)/C2=O)(C)C
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Product OPENEYE NAME: 2-(2,2-dicyanovinyl)-3,4-dihydronaphthalen-1-olate
CAS Name: 2-(2,2-dicyanoethenyl)-3,4-dihydronaphthalen-1-olate
IUPAC NAME: 2-(2,2-dicyanoethenyl)-3,4-dihydronaphthalen-1-olate
SYSTEMATIC NAME: 2-(2,2-dicyanoethenyl)-3,4-dihydronaphthalen-1-olate
MOLECULAR FORMULA: C14H9N2O-
MOLECULAR WEIGHT: 221.23406
SMILES: C1CC(=C(C2=CC=CC=C21)[O-])C=C(C#N)C#N
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Product OPENEYE NAME: 2-[(1-hydroxy-3,4-dihydronaphthalen-2-yl)methylene]propanedinitrile
CAS Name: 2-[(1-hydroxy-3,4-dihydronaphthalen-2-yl)methylidene]propanedinitrile
IUPAC NAME: 2-[(1-hydroxy-3,4-dihydronaphthalen-2-yl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(1-oxidanyl-3,4-dihydronaphthalen-2-yl)methylidene]propanedinitrile
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1CC(=C(C2=CC=CC=C21)O)C=C(C#N)C#N
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