6,8-bis(fluoranyl)-7-(1-fluoranyl-1-quinolin-6-yl-ethyl)-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-7-(1-fluoranyl-1-quinolin-6-yl-ethyl)-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-7-[1-fluoro-1-(6-quinolyl)ethyl]-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-7-[1-fluoro-1-(6-quinolinyl)ethyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6,8-difluoro-7-(1-fluoro-1-quinolin-6-ylethyl)-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-7-[1-fluoro-1-(6-quinolyl)ethyl]-4-keto-1H-quinoline-3-carboxylic acid Formula: C21H13F3N2O3 MolecularWeight: 398.33473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=CC=C2)(C3=C(C=C4C(=C3F)NC=C(C4=O)C(=O)O)F)F

Isomeric SMILES

CC(C1=CC2=C(C=C1)N=CC=C2)(C3=C(C=C4C(=C3F)NC=C(C4=O)C(=O)O)F)F

InChI

InChI=1S/C21H13F3N2O3/c1-21(24,11-4-5-15-10(7-11)3-2-6-25-15)16-14(22)8-12-18(17(16)23)26-9-13(19(12)27)20(28)29/h2-9H,1H3,(H,26,27)(H,28,29)