ethyl 1-[(4-bromophenyl)methyl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-5-methyl-triazole-4-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-5-methyltriazole-4-carboxylate Traditional Name: 1-(4-bromobenzyl)-5-methyl-triazole-4-carboxylic acid ethyl ester Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C13H14BrN3O2/c1-3-19-13(18)12-9(2)17(16-15-12)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3