dimethyl 1-(4-methylphenyl)-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(4-methylphenyl)-1,2,4-triazole-3,5-dicarboxylate Openeye Name: dimethyl 1-(p-tolyl)-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-(4-methylphenyl)-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-methylphenyl)-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-(p-tolyl)-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c1-8-4-6-9(7-5-8)16-11(13(18)20-3)14-10(15-16)12(17)19-2/h4-7H,1-3H3