6-fluoranyl-5-methyl-4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-5-methyl-4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethyl]quinoline-3-carboxylic acid Openeye Name: 6-fluoro-5-methyl-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-5-methyl-4-oxo-1-(2,2,2-trifluoroethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-5-methyl-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-5-methyl-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid Formula: C13H9F4NO3 MolecularWeight: 303.209073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C(=CN2CC(F)(F)F)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C(=CN2CC(F)(F)F)C(=O)O)F

InChI

InChI=1S/C13H9F4NO3/c1-6-8(14)2-3-9-10(6)11(19)7(12(20)21)4-18(9)5-13(15,16)17/h2-4H,5H2,1H3,(H,20,21)