ethyl 1-(3-ethoxy-4-fluoranyl-phenyl)-6,7-bis(fluoranyl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(3-ethoxy-4-fluoranyl-phenyl)-6,7-bis(fluoranyl)-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(3-ethoxy-4-fluoro-phenyl)-6,7-difluoro-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-(3-ethoxy-4-fluorophenyl)-6,7-difluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxy-4-fluorophenyl)-6,7-difluoro-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-(3-ethoxy-4-fluoro-phenyl)-6,7-difluoro-4-keto-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C21H18F3NO4 MolecularWeight: 405.36713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)C)F)F)C(=O)OCC)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)C)F)F)C(=O)OCC)F

InChI

InChI=1S/C21H18F3NO4/c1-4-28-17-8-12(6-7-15(17)22)25-10-14(21(27)29-5-2)20(26)13-9-16(23)18(24)11(3)19(13)25/h6-10H,4-5H2,1-3H3