(3-cyanophenyl)methyl 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3-cyanophenyl)methyl 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid (3-cyanobenzyl) ester Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)N3C=NN=N3

InChI

InChI=1S/C16H11N5O2/c17-9-12-4-3-5-13(8-12)10-23-16(22)14-6-1-2-7-15(14)21-11-18-19-20-21/h1-8,11H,10H2