dimethyl 1-[(2-aminophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate

Systemtic Name: dimethyl 1-[(2-aminophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate Openeye Name: dimethyl 1-[(2-aminophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate CAS Name: 1-[(2-aminophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2-aminophenyl)methyl]-1,2,4-triazole-3,5-dicarboxylate Traditional Name: 1-(2-aminobenzyl)-1,2,4-triazole-3,5-dicarboxylic acid dimethyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)C(=O)OC)CC2=CC=CC=C2N

Isomeric SMILES

COC(=O)C1=NN(C(=N1)C(=O)OC)CC2=CC=CC=C2N

InChI

InChI=1S/C13H14N4O4/c1-20-12(18)10-15-11(13(19)21-2)17(16-10)7-8-5-3-4-6-9(8)14/h3-6H,7,14H2,1-2H3