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

Systemtic Name: (3-cyanophenyl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3-cyanophenyl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(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(=CC(=C1)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)C#N

Isomeric SMILES

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

InChI

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