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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-(2-azanylethylamino)-8-chloranyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-(2-aminoethylamino)-8-chloro-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-(2-aminoethylamino)-8-chloro-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-(2-aminoethylamino)-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-7-(2-aminoethylamino)-8-chloro-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H14ClF3N4O3 MolecularWeight: 426.77697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClF3N4O3/c19-14-15(25-2-1-23)11(22)3-7-16(14)26(6-8(17(7)27)18(28)29)13-5-12(24)9(20)4-10(13)21/h3-6,25H,1-2,23-24H2,(H,28,29)