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

Systemtic Name: dimethyl 1-(4-bromophenyl)-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-(4-bromophenyl)triazole-4,5-dicarboxylate CAS Name: 1-(4-bromophenyl)triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-bromophenyl)triazole-4,5-dicarboxylate Traditional Name: 1-(4-bromophenyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C12H10BrN3O4 MolecularWeight: 340.1295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrN3O4/c1-19-11(17)9-10(12(18)20-2)16(15-14-9)8-5-3-7(13)4-6-8/h3-6H,1-2H3