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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-fluoranyl-8-(hydroxymethyl)-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-8-(hydroxymethyl)-7-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-(hydroxymethyl)-7-(methylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-6-fluoro-8-(hydroxymethyl)-7-(methylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-4-keto-7-(methylamino)-8-methylol-quinoline-3-carboxylic acid Formula: C18H14F3N3O4 MolecularWeight: 393.31667

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1CO)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)F

Isomeric SMILES

CNC1=C(C=C2C(=C1CO)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)F

InChI

InChI=1S/C18H14F3N3O4/c1-23-15-9(6-25)16-7(2-12(15)21)17(26)8(18(27)28)5-24(16)14-4-13(22)10(19)3-11(14)20/h2-5,23,25H,6,22H2,1H3,(H,27,28)