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

Systemtic Name: 3-[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]benzoate Openeye Name: 3-(1-isobutyltetrazol-5-yl)benzoate CAS Name: 3-[1-(2-methylpropyl)-5-tetrazolyl]benzoate IUPAC Name: 3-[1-(2-methylpropyl)tetrazol-5-yl]benzoate Traditional Name: 3-(1-isobutyltetrazol-5-yl)benzoate Formula: C12H13N4O2- MolecularWeight: 245.25722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=N1)C2=CC(=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=NN=N1)C2=CC(=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H14N4O2/c1-8(2)7-16-11(13-14-15-16)9-4-3-5-10(6-9)12(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)/p-1