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

Systemtic Name: (2-cyanophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (2-cyanobenzyl) ester Formula: C17H14N4O2 MolecularWeight: 306.31866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)N=N1

InChI

InChI=1S/C17H14N4O2/c1-2-21-16-8-7-12(9-15(16)19-20-21)17(22)23-11-14-6-4-3-5-13(14)10-18/h3-9H,2,11H2,1H3