4-cyano-2-[[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-cyano-2-[[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Openeye Name: 4-cyano-2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid CAS Name: 4-cyano-2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid IUPAC Name: 4-cyano-2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Traditional Name: 4-cyano-2-[[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Formula: C13H9F3N4O3 MolecularWeight: 326.23077

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=C(C=CC(=C2)C#N)C(=O)O)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=O)CC2=C(C=CC(=C2)C#N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H9F3N4O3/c1-19-11(13(14,15)16)18-20(12(19)23)6-8-4-7(5-17)2-3-9(8)10(21)22/h2-4H,6H2,1H3,(H,21,22)