(4-bromophenyl) 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-bromophenyl) 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-bromophenyl) 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (4-bromophenyl) ester Formula: C14H9BrN4O2 MolecularWeight: 345.15086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN4O2/c15-11-3-7-13(8-4-11)21-14(20)10-1-5-12(6-2-10)19-9-16-17-18-19/h1-9H