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

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN4O3/c1-11(16(23)12-5-7-14(18)8-6-12)25-17(24)13-3-2-4-15(9-13)22-10-19-20-21-22/h2-11H,1H3