4-[5-(4-bromophenyl)-1,2,3-triazol-1-yl]benzoate

Systemtic Name: 4-[5-(4-bromophenyl)-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[5-(4-bromophenyl)triazol-1-yl]benzoate CAS Name: 4-[5-(4-bromophenyl)-1-triazolyl]benzoate IUPAC Name: 4-[5-(4-bromophenyl)triazol-1-yl]benzoate Traditional Name: 4-[5-(4-bromophenyl)triazol-1-yl]benzoate Formula: C15H9BrN3O2- MolecularWeight: 343.15486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=NN2C3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=CN=NN2C3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C15H10BrN3O2/c16-12-5-1-10(2-6-12)14-9-17-18-19(14)13-7-3-11(4-8-13)15(20)21/h1-9H,(H,20,21)/p-1