Sunday, June 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 6,7,8-trifluoro-1-(1-methyl-2-oxo-ethyl)-4-oxo-quinoline-3-carboxylate
CAS Name: 6,7,8-trifluoro-4-oxo-1-(1-oxopropan-2-yl)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 6,7,8-trifluoro-4-oxo-1-(1-oxopropan-2-yl)quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(1-oxidanylidenepropan-2-yl)quinoline-3-carboxylate
MOLECULAR FORMULA: C15H12F3NO4
MOLECULAR WEIGHT: 327.25529
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C(C)C=O
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MOLECULAR FORMULA: C14H9F2NO4
MOLECULAR WEIGHT: 293.222366
SMILES: CCOC(=O)C1=CN2C=COC3=C2C(=CC(=C3F)F)C1=O
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MOLECULAR FORMULA: C12H5F2NO4
MOLECULAR WEIGHT: 265.169206
SMILES: C1=COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
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MOLECULAR FORMULA: C14H11F2NO4S
MOLECULAR WEIGHT: 327.303246
SMILES: CCOC(=O)C1=CN2CC(SC3=C2C(=CC(=C3F)F)C1=O)O
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MOLECULAR FORMULA: C15H13F2NO4S
MOLECULAR WEIGHT: 341.329826
SMILES: CCOC(=O)C1=CN2C(C(SC3=C2C(=CC(=C3F)F)C1=O)O)C
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MOLECULAR FORMULA: C14H10ClF2NO3S
MOLECULAR WEIGHT: 345.748906
SMILES: CCOC(=O)C1=CN2CC(SC3=C2C(=CC(=C3F)F)C1=O)Cl
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MOLECULAR FORMULA: C15H12ClF2NO3S
MOLECULAR WEIGHT: 359.775486
SMILES: CCOC(=O)C1=CN2C(C(SC3=C2C(=CC(=C3F)F)C1=O)Cl)C
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MOLECULAR FORMULA: C14H9F2NO3S
MOLECULAR WEIGHT: 309.287966
SMILES: CCOC(=O)C1=CN2C=CSC3=C2C(=CC(=C3F)F)C1=O
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MOLECULAR FORMULA: C12H5F2NO3S
MOLECULAR WEIGHT: 281.234806
SMILES: C1=CSC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
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MOLECULAR FORMULA: C13H7F2NO3S
MOLECULAR WEIGHT: 295.261386
SMILES: CC1=CSC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
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MOLECULAR FORMULA: C16H14FN3O4
MOLECULAR WEIGHT: 331.298463
SMILES: CNC1CN(C1)C2=C(C=C3C4=C2OC=CN4C=C(C3=O)C(=O)O)F
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MOLECULAR FORMULA: C17H16FN3O4
MOLECULAR WEIGHT: 345.325043
SMILES: CC1=COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(C4)N)F)C(=O)O
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MOLECULAR FORMULA: C17H16FN3O3S
MOLECULAR WEIGHT: 361.390643
SMILES: CN1CCN(CC1)C2=C(C=C3C4=C2SC=CN4C=C(C3=O)C(=O)O)F
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MOLECULAR FORMULA: C16H14FN3O3S
MOLECULAR WEIGHT: 347.364063
SMILES: C1CN(CC1N)C2=C(C=C3C4=C2SC=CN4C=C(C3=O)C(=O)O)F
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MOLECULAR FORMULA: C16H14FN3O3S
MOLECULAR WEIGHT: 347.364063
SMILES: CNC1CN(C1)C2=C(C=C3C4=C2SC=CN4C=C(C3=O)C(=O)O)F
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MOLECULAR FORMULA: C17H16FN3O3S
MOLECULAR WEIGHT: 361.390643
SMILES: CC1=CSC2=C3N1C=C(C(=O)C3=CC(=C2N4CC(C4)NC)F)C(=O)O
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Product OPENEYE NAME: ethyl 1-(2-benzhydryloxy-2-oxo-ethyl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate
CAS Name: 1-[2-(diphenylmethyl)oxy-2-oxoethyl]-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(2-benzhydryloxy-2-oxoethyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(diphenylmethyl)oxy-2-oxidanylidene-ethyl]-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C27H20F3NO5
MOLECULAR WEIGHT: 495.44661
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)CC(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 1-(2-benzhydryloxy-1-methyl-2-oxo-ethyl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate
CAS Name: 1-[1-(diphenylmethyl)oxy-1-oxopropan-2-yl]-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(1-benzhydryloxy-1-oxopropan-2-yl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[1-(diphenylmethyl)oxy-1-oxidanylidene-propan-2-yl]-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C28H22F3NO5
MOLECULAR WEIGHT: 509.47319
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C(C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxo-1-quinolyl)acetic acid
CAS Name: 2-(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxo-1-quinolinyl)acetic acid
IUPAC NAME: 2-(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxoquinolin-1-yl)acetic acid
SYSTEMATIC NAME: 2-[3-ethoxycarbonyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinolin-1-yl]ethanoic acid
MOLECULAR FORMULA: C14H10F3NO5
MOLECULAR WEIGHT: 329.22811
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)CC(=O)O
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Product OPENEYE NAME: 2-(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxo-1-quinolyl)propanoic acid
CAS Name: 2-(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxo-1-quinolinyl)propanoic acid
IUPAC NAME: 2-(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxoquinolin-1-yl)propanoic acid
SYSTEMATIC NAME: 2-[3-ethoxycarbonyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinolin-1-yl]propanoic acid
MOLECULAR FORMULA: C15H12F3NO5
MOLECULAR WEIGHT: 343.25469
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C(C)C(=O)O
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Product OPENEYE NAME: ethyl 1-(2-chloro-2-oxo-ethyl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate
CAS Name: 1-(2-chloro-2-oxoethyl)-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(2-chloro-2-oxoethyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-chloranyl-2-oxidanylidene-ethyl)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C14H9ClF3NO4
MOLECULAR WEIGHT: 347.67377
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)CC(=O)Cl
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Product OPENEYE NAME: ethyl 1-(2-chloro-1-methyl-2-oxo-ethyl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate
CAS Name: 1-(1-chloro-1-oxopropan-2-yl)-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(1-chloro-1-oxopropan-2-yl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(1-chloranyl-1-oxidanylidene-propan-2-yl)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C15H11ClF3NO4
MOLECULAR WEIGHT: 361.70035
SMILES: CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)F)C(C)C(=O)Cl
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