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

Systemtic Name: 8-fluoranyl-1-[[2-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-1-[2-fluoro-3-(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)C(F)(F)F)F)CN2C=C(C(=O)C3=C2C(=CC=C3)F)C(=O)O

Isomeric SMILES

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

InChI

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