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

Systemtic Name: phenyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: phenyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid phenyl ester IUPAC Name: phenyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid phenyl ester Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C14H10N4O2/c19-14(20-13-4-2-1-3-5-13)11-6-8-12(9-7-11)18-10-15-16-17-18/h1-10H