2-[1-(4-methylphenyl)-5-phenylmethoxycarbonyl-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-(4-methylphenyl)-5-phenylmethoxycarbonyl-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[5-benzyloxycarbonyl-1-(p-tolyl)tetrazol-1-ium-1-yl]acetate CAS Name: 2-[1-(4-methylphenyl)-5-phenylmethoxycarbonyl-1-tetrazol-1-iumyl]acetate IUPAC Name: 2-[1-(4-methylphenyl)-5-phenylmethoxycarbonyltetrazol-1-ium-1-yl]acetate Traditional Name: 2-[5-carbobenzoxy-1-(p-tolyl)tetrazol-1-ium-1-yl]acetate Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2(C(=NN=N2)C(=O)OCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2(C(=NN=N2)C(=O)OCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C18H16N4O4/c1-13-7-9-15(10-8-13)22(11-16(23)24)17(19-20-21-22)18(25)26-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3