1-(3-azanyl-4-fluoranyl-phenyl)-8-chloranyl-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(3-azanyl-4-fluoranyl-phenyl)-8-chloranyl-6,7-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(3-amino-4-fluoro-phenyl)-8-chloro-6,7-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(3-amino-4-fluorophenyl)-8-chloro-6,7-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(3-amino-4-fluorophenyl)-8-chloro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(3-amino-4-fluoro-phenyl)-8-chloro-6,7-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C16H8ClF3N2O3 MolecularWeight: 368.69453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O)N)F

Isomeric SMILES

C1=CC(=C(C=C1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O)N)F

InChI

InChI=1S/C16H8ClF3N2O3/c17-12-13(20)10(19)4-7-14(12)22(5-8(15(7)23)16(24)25)6-1-2-9(18)11(21)3-6/h1-5H,21H2,(H,24,25)