[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-bromanylbenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-bromanylbenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C14H9BrN4O2 MolecularWeight: 345.15086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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