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

Systemtic Name: dimethyl 1-[(2-bromophenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(2-bromophenyl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(2-bromophenyl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(2-bromophenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(2-bromobenzyl)triazole-4,5-dicarboxylic acid dimethyl ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C13H12BrN3O4/c1-20-12(18)10-11(13(19)21-2)17(16-15-10)7-8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3