dimethyl 3,4-diphenyl-4H-1,2,3-triazole-5,5-dicarboxylate

Systemtic Name: dimethyl 3,4-diphenyl-4H-1,2,3-triazole-5,5-dicarboxylate Openeye Name: dimethyl 3,4-diphenyl-4H-triazole-5,5-dicarboxylate CAS Name: 3,4-diphenyl-4H-triazole-5,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,4-diphenyl-4H-triazole-5,5-dicarboxylate Traditional Name: 3,4-diphenyl-4H-triazole-5,5-dicarboxylic acid dimethyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(N(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(C(N(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4/c1-24-16(22)18(17(23)25-2)15(13-9-5-3-6-10-13)21(20-19-18)14-11-7-4-8-12-14/h3-12,15H,1-2H3