[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C16H11BrN4O3 MolecularWeight: 387.18754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)N2C=NN=N2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN4O3/c17-13-6-4-11(5-7-13)15(22)9-24-16(23)12-2-1-3-14(8-12)21-10-18-19-20-21/h1-8,10H,9H2