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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(N=C1)C2=CC=C(C=C2)CBr

Isomeric SMILES

CCOC(=O)C1=NN(N=C1)C2=CC=C(C=C2)CBr

InChI

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