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

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-cyanobenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-cyanobenzoate Traditional Name: 3-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(=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)C#N

Isomeric SMILES

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

InChI

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