3-methyl-4-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]-3-methyl-benzoic acid Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O4/c1-9-6-10(15(24)25)2-4-12(9)20-13(22)8-21-7-11(16(17,18)19)3-5-14(21)23/h2-7H,8H2,1H3,(H,20,22)(H,24,25)