5,8-bis(fluoranyl)-1-[(2-fluoranyl-4-pyridin-3-yl-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5,8-bis(fluoranyl)-1-[(2-fluoranyl-4-pyridin-3-yl-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5,8-difluoro-1-[[2-fluoro-4-(3-pyridyl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5,8-difluoro-1-[[2-fluoro-4-(3-pyridinyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5,8-difluoro-1-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5,8-difluoro-1-[2-fluoro-4-(3-pyridyl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C22H13F3N2O3 MolecularWeight: 410.34543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=C(C=CC(=C43)F)F)C(=O)O)F

Isomeric SMILES

C1=CC(=CN=C1)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=C(C=CC(=C43)F)F)C(=O)O)F

InChI

InChI=1S/C22H13F3N2O3/c23-16-5-6-17(24)20-19(16)21(28)15(22(29)30)11-27(20)10-14-4-3-12(8-18(14)25)13-2-1-7-26-9-13/h1-9,11H,10H2,(H,29,30)