(3-bromophenyl) 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: (3-bromophenyl) 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: (3-bromophenyl) 4-(2H-tetrazol-5-yl)benzoate CAS Name: 4-(2H-tetrazol-5-yl)benzoic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 4-(2H-tetrazol-5-yl)benzoate Traditional Name: 4-(2H-tetrazol-5-yl)benzoic acid (3-bromophenyl) ester Formula: C14H9BrN4O2 MolecularWeight: 345.15086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)C3=NNN=N3

Isomeric SMILES

C1=CC(=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)C3=NNN=N3

InChI

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