cyanomethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: cyanomethyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: cyanomethyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid cyanomethyl ester Formula: C10H7N5O2 MolecularWeight: 229.19488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC#N)N2C=NN=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC#N)N2C=NN=N2

InChI

InChI=1S/C10H7N5O2/c11-5-6-17-10(16)8-1-3-9(4-2-8)15-7-12-13-14-15/h1-4,7H,6H2