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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-4-oxidanylidene-7-(prop-2-enylamino)quinoline-3-carboxylic acid Openeye Name: 7-(allylamino)-1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-(prop-2-enylamino)-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-8-chloro-6-fluoro-4-oxo-7-(prop-2-enylamino)quinoline-3-carboxylic acid Traditional Name: 7-(allylamino)-1-(5-amino-2,4-difluoro-phenyl)-8-chloro-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H13ClF3N3O3 MolecularWeight: 423.77303

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)F

Isomeric SMILES

C=CCNC1=C(C=C2C(=C1Cl)N(C=C(C2=O)C(=O)O)C3=CC(=C(C=C3F)F)N)F

InChI

InChI=1S/C19H13ClF3N3O3/c1-2-3-25-16-12(23)4-8-17(15(16)20)26(7-9(18(8)27)19(28)29)14-6-13(24)10(21)5-11(14)22/h2,4-7,25H,1,3,24H2,(H,28,29)