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

Systemtic Name: (4-cyanophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (4-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=C(C=C3)C#N)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)N=N1

InChI

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