[2-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl] benzoate

Systemtic Name: [2-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl] benzoate Openeye Name: [2-(1,1-dimethylpropyl)tetrazol-5-yl] benzoate CAS Name: benzoic acid [2-(2-methylbutan-2-yl)-5-tetrazolyl] ester IUPAC Name: [2-(2-methylbutan-2-yl)tetrazol-5-yl] benzoate Traditional Name: benzoic acid (2-tert-amyltetrazol-5-yl) ester Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1N=C(N=N1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)N1N=C(N=N1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2/c1-4-13(2,3)17-15-12(14-16-17)19-11(18)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3