(2-bromophenyl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (2-bromophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (2-bromophenyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (2-bromobenzyl) ester Formula: C16H14BrN3O2 MolecularWeight: 360.20526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3Br)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3Br)N=N1

InChI

InChI=1S/C16H14BrN3O2/c1-2-20-15-8-7-11(9-14(15)18-19-20)16(21)22-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3