1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-fluoranyl-6-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-fluoranyl-6-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-fluoro-6-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-fluoro-6-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-fluoro-6-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-7-fluoro-4-keto-6-methyl-quinoline-3-carboxylic acid Formula: C17H11F3N2O3 MolecularWeight: 348.27605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O)F

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O)F

InChI

InChI=1S/C17H11F3N2O3/c1-7-2-8-14(4-10(7)18)22(6-9(16(8)23)17(24)25)15-5-13(21)11(19)3-12(15)20/h2-6H,21H2,1H3,(H,24,25)