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

Systemtic Name: 2-[[4-methyl-5-oxidanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid CAS Name: 2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid IUPAC Name: 2-[[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[5-keto-4-methyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]benzoic acid Formula: C12H10F3N3O3 MolecularWeight: 301.22131

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=CC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=CC=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H10F3N3O3/c1-17-10(12(13,14)15)16-18(11(17)21)6-7-4-2-3-5-8(7)9(19)20/h2-5H,6H2,1H3,(H,19,20)