8-fluoranyl-1-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[4-methoxy-3-(trifluoromethyl)benzyl]quinoline-3-carboxylic acid Formula: C19H13F4NO4 MolecularWeight: 395.304433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=C(C(=O)C3=C2C(=CC=C3)F)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=C(C(=O)C3=C2C(=CC=C3)F)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H13F4NO4/c1-28-15-6-5-10(7-13(15)19(21,22)23)8-24-9-12(18(26)27)17(25)11-3-2-4-14(20)16(11)24/h2-7,9H,8H2,1H3,(H,26,27)