[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(2H-1,2,3,4-tetrazol-1-ium-1-yl)propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(2H-1,2,3,4-tetrazol-1-ium-1-yl)propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(2H-tetrazol-1-ium-1-yl)propanoate CAS Name: 3-(2H-tetrazol-1-ium-1-yl)propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(2H-tetrazol-1-ium-1-yl)propanoate Traditional Name: 3-(2H-tetrazol-1-ium-1-yl)propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C12H12BrN4O3+ MolecularWeight: 340.15268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CC[N+]2=CN=NN2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CC[N+]2=CN=NN2)Br

InChI

InChI=1S/C12H11BrN4O3/c13-10-3-1-9(2-4-10)11(18)7-20-12(19)5-6-17-8-14-15-16-17/h1-4,8H,5-7H2/p+1