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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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