[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-cyanobenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-cyanobenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C15H9N5O2 MolecularWeight: 291.26426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C15H9N5O2/c16-9-11-1-3-12(4-2-11)15(21)22-14-7-5-13(6-8-14)20-10-17-18-19-20/h1-8,10H