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

Systemtic Name: 2-[5-phenoxycarbonyl-1-(phenylmethyl)-1,2,3,4-tetrazol-1-ium-1-yl]ethanoate Openeye Name: 2-(1-benzyl-5-phenoxycarbonyl-tetrazol-1-ium-1-yl)acetate CAS Name: 2-[5-[oxo(phenoxy)methyl]-1-(phenylmethyl)-1-tetrazol-1-iumyl]acetate IUPAC Name: 2-(1-benzyl-5-phenoxycarbonyltetrazol-1-ium-1-yl)acetate Traditional Name: 2-(1-benzyl-5-carbophenoxy-tetrazol-1-ium-1-yl)acetate Formula: C17H14N4O4 MolecularWeight: 338.31746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2(C(=NN=N2)C(=O)OC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2(C(=NN=N2)C(=O)OC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C17H14N4O4/c22-15(23)12-21(11-13-7-3-1-4-8-13)16(18-19-20-21)17(24)25-14-9-5-2-6-10-14/h1-10H,11-12H2