[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H13BrN4O3 MolecularWeight: 401.21412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)OC2=CC=C(C=C2)N3C=NN=N3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)OC2=CC=C(C=C2)N3C=NN=N3)Br

InChI

InChI=1S/C17H13BrN4O3/c18-13-3-1-12(2-4-13)16(23)9-10-17(24)25-15-7-5-14(6-8-15)22-11-19-20-21-22/h1-8,11H,9-10H2