1-[[6-(3-aminophenyl)pyridin-3-yl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[6-(3-aminophenyl)pyridin-3-yl]methyl]-8-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[6-(3-aminophenyl)-3-pyridyl]methyl]-8-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-8-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[6-(3-aminophenyl)pyridin-3-yl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[[6-(3-aminophenyl)-3-pyridyl]methyl]-8-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H16FN3O3 MolecularWeight: 389.379143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2=NC=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C2=NC=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C22H16FN3O3/c23-18-6-2-5-16-20(18)26(12-17(21(16)27)22(28)29)11-13-7-8-19(25-10-13)14-3-1-4-15(24)9-14/h1-10,12H,11,24H2,(H,28,29)