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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-(methylamino)-4-oxidanylidene-8-propan-2-yloxy-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-8-isopropoxy-7-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-6-fluoro-7-(methylamino)-4-oxo-8-propan-2-yloxy-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-6-fluoro-7-(methylamino)-4-oxo-8-propan-2-yloxyquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-6-fluoro-8-isopropoxy-4-keto-7-(methylamino)quinoline-3-carboxylic acid Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C2C(=CC(=C1NC)F)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O

Isomeric SMILES

CC(C)OC1=C2C(=CC(=C1NC)F)C(=O)C(=CN2C3=CC(=C(C=C3F)F)N)C(=O)O

InChI

InChI=1S/C20H18F3N3O4/c1-8(2)30-19-16(25-3)13(23)4-9-17(19)26(7-10(18(9)27)20(28)29)15-6-14(24)11(21)5-12(15)22/h4-8,25H,24H2,1-3H3,(H,28,29)