methyl 2-[4-(bromomethyl)phenyl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 2-[4-(bromomethyl)phenyl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: methyl 2-[4-(bromomethyl)phenyl]-5-methyl-triazole-4-carboxylate CAS Name: 2-[4-(bromomethyl)phenyl]-5-methyl-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(bromomethyl)phenyl]-5-methyltriazole-4-carboxylate Traditional Name: 2-[4-(bromomethyl)phenyl]-5-methyl-triazole-4-carboxylic acid methyl ester Formula: C12H12BrN3O2 MolecularWeight: 310.14658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC)C2=CC=C(C=C2)CBr

Isomeric SMILES

CC1=NN(N=C1C(=O)OC)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C12H12BrN3O2/c1-8-11(12(17)18-2)15-16(14-8)10-5-3-9(7-13)4-6-10/h3-6H,7H2,1-2H3