4-(4-methylphenyl)-4-oxidanylidene-2-(1,2,4-triazol-4-yl)butanoic acid

Systemtic Name: 4-(4-methylphenyl)-4-oxidanylidene-2-(1,2,4-triazol-4-yl)butanoic acid Openeye Name: 4-oxo-4-(p-tolyl)-2-(1,2,4-triazol-4-yl)butanoic acid CAS Name: 4-(4-methylphenyl)-4-oxo-2-(1,2,4-triazol-4-yl)butanoic acid IUPAC Name: 4-(4-methylphenyl)-4-oxo-2-(1,2,4-triazol-4-yl)butanoic acid Traditional Name: 4-keto-4-(p-tolyl)-2-(1,2,4-triazol-4-yl)butyric acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=NN=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2C=NN=C2

InChI

InChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)12(17)6-11(13(18)19)16-7-14-15-8-16/h2-5,7-8,11H,6H2,1H3,(H,18,19)