1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-keto-7-(methylamino)quinoline-3-carboxylic acid Formula: C17H11ClF3N3O3 MolecularWeight: 397.73575

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)F

Isomeric SMILES

CNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)F

InChI

InChI=1S/C17H11ClF3N3O3/c1-23-14-10(21)2-6-15(13(14)18)24(5-7(16(6)25)17(26)27)12-4-11(22)8(19)3-9(12)20/h2-5,23H,22H2,1H3,(H,26,27)