1-methyl-4-oxidanylidene-6-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanylidene-6-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-methyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-methyl-4-oxo-6-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-methyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-keto-1-methyl-6-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C12H8F3NO3 MolecularWeight: 271.19203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H8F3NO3/c1-16-5-8(11(18)19)10(17)7-4-6(12(13,14)15)2-3-9(7)16/h2-5H,1H3,(H,18,19)