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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-7-(2-hydroxyethylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-7-(2-hydroxyethylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-7-(2-hydroxyethylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-7-(2-hydroxyethylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-7-(2-hydroxyethylamino)-4-keto-quinoline-3-carboxylic acid Formula: C18H13ClF3N3O4 MolecularWeight: 427.76173

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1F)NCCO)Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N

Isomeric SMILES

C1=C2C(=C(C(=C1F)NCCO)Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N

InChI

InChI=1S/C18H13ClF3N3O4/c19-14-15(24-1-2-26)11(22)3-7-16(14)25(6-8(17(7)27)18(28)29)13-5-12(23)9(20)4-10(13)21/h3-6,24,26H,1-2,23H2,(H,28,29)