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

Systemtic Name: (phenylmethyl) 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: benzyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid benzyl ester Formula: C15H12N4O2 MolecularWeight: 280.28138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O2/c20-15(21-10-12-5-2-1-3-6-12)13-7-4-8-14(9-13)19-11-16-17-18-19/h1-9,11H,10H2