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

Systemtic Name: 1-[2,4-bis(fluoranyl)-5-(methylamino)phenyl]-8-chloranyl-6-fluoranyl-7-(methylamino)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-[2,4-difluoro-5-(methylamino)phenyl]-6-fluoro-7-(methylamino)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-[2,4-difluoro-5-(methylamino)phenyl]-6-fluoro-7-(methylamino)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-[2,4-difluoro-5-(methylamino)phenyl]-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-[2,4-difluoro-5-(methylamino)phenyl]-6-fluoro-4-keto-7-(methylamino)quinoline-3-carboxylic acid Formula: C18H13ClF3N3O3 MolecularWeight: 411.76233

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)NC)F)C(=O)O)F)F

Isomeric SMILES

CNC1=C(C=C(C(=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)NC)F)C(=O)O)F)F

InChI

InChI=1S/C18H13ClF3N3O3/c1-23-12-5-13(10(21)4-9(12)20)25-6-8(18(27)28)17(26)7-3-11(22)15(24-2)14(19)16(7)25/h3-6,23-24H,1-2H3,(H,27,28)