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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)N3C=NN=N3

InChI

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