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

Systemtic Name: 2-[5-(4-phenylmethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: 2-[5-(4-benzyloxyphenyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-phenylmethoxyphenyl)-2-tetrazolyl]acetate IUPAC Name: 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(4-benzoxyphenyl)tetrazol-2-yl]acetate Formula: C16H13N4O3- MolecularWeight: 309.29942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(N=N3)CC(=O)[O-]

InChI

InChI=1S/C16H14N4O3/c21-15(22)10-20-18-16(17-19-20)13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)/p-1