8-fluoranyl-1-[[3-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[3-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-1-[3-fluoro-2-(trifluoromethyl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C18H10F5NO3 MolecularWeight: 383.268916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10F5NO3/c19-12-5-1-3-9(14(12)18(21,22)23)7-24-8-11(17(26)27)16(25)10-4-2-6-13(20)15(10)24/h1-6,8H,7H2,(H,26,27)