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

Systemtic Name: dimethyl 1-(phenylmethyl)-1,2,4-triazole-3,5-dicarboxylate Openeye Name: dimethyl 1-benzyl-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-(phenylmethyl)-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-benzyl-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:

COC(=O)C1=NN(C(=N1)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C(=N1)C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O4/c1-19-12(17)10-14-11(13(18)20-2)16(15-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3