propan-2-yl 2-(3-methylphenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: propan-2-yl 2-(3-methylphenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: isopropyl 2-(m-tolyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(3-methylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-methylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-(m-tolyl)-1H-1,2,4-triazole-5-carboxylic acid isopropyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)N=C(N2)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)N=C(N2)C(=O)OC(C)C

InChI

InChI=1S/C13H15N3O3/c1-8(2)19-12(17)11-14-13(18)16(15-11)10-6-4-5-9(3)7-10/h4-8H,1-3H3,(H,14,15,18)