2-[5-(phenylmethyl)-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: 2-[5-(phenylmethyl)-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: 2-(5-benzyltetrazol-1-yl)acetate CAS Name: 2-[5-(phenylmethyl)-1-tetrazolyl]acetate IUPAC Name: 2-(5-benzyltetrazol-1-yl)acetate Traditional Name: 2-(5-benzyltetrazol-1-yl)acetate Formula: C10H9N4O2- MolecularWeight: 217.20406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=NN2CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=NN2CC(=O)[O-]

InChI

InChI=1S/C10H10N4O2/c15-10(16)7-14-9(11-12-13-14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)/p-1