3-methyl-2-[[2-oxidanylidene-6-(trifluoromethyl)-1H-pyridin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-oxidanylidene-6-(trifluoromethyl)-1H-pyridin-3-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid Traditional Name: 2-[[2-keto-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]-3-methyl-butyric acid Formula: C12H13F3N2O4 MolecularWeight: 306.23783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=C(NC1=O)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC=C(NC1=O)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O4/c1-5(2)8(11(20)21)17-10(19)6-3-4-7(12(13,14)15)16-9(6)18/h3-5,8H,1-2H3,(H,16,18)(H,17,19)(H,20,21)