tert-butyl 2-(4-methylphenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: tert-butyl 2-(4-methylphenyl)-3-oxidanylidene-1H-1,2,4-triazole-5-carboxylate Openeye Name: tert-butyl 3-oxo-2-(p-tolyl)-1H-1,2,4-triazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methylphenyl)-3-oxo-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-(p-tolyl)-1H-1,2,4-triazole-5-carboxylic acid tert-butyl ester Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c1-9-5-7-10(8-6-9)17-13(19)15-11(16-17)12(18)20-14(2,3)4/h5-8H,1-4H3,(H,15,16,19)