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

Systemtic Name: 1-[5-azanyl-2,4-bis(fluoranyl)phenyl]-7-(3-azanyl-3-methyl-azetidin-1-yl)-8-chloranyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-2,4-difluoro-phenyl)-7-(3-amino-3-methyl-azetidin-1-yl)-8-chloro-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-2,4-difluorophenyl)-7-(3-amino-3-methyl-1-azetidinyl)-8-chloro-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-2,4-difluorophenyl)-7-(3-amino-3-methylazetidin-1-yl)-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-2,4-difluoro-phenyl)-7-(3-amino-3-methyl-azetidin-1-yl)-8-chloro-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H16ClF3N4O3 MolecularWeight: 452.81425

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4F)F)N)F)N

Isomeric SMILES

CC1(CN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4F)F)N)F)N

InChI

InChI=1S/C20H16ClF3N4O3/c1-20(26)6-27(7-20)17-12(24)2-8-16(15(17)21)28(5-9(18(8)29)19(30)31)14-4-13(25)10(22)3-11(14)23/h2-5H,6-7,25-26H2,1H3,(H,30,31)