3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate

Systemtic Name: 3-(4-bromophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate Openeye Name: 3-(4-bromophenyl)oxatriazol-3-ium-5-olate CAS Name: 3-(4-bromophenyl)-5-oxatriazol-3-iumolate IUPAC Name: 3-(4-bromophenyl)oxatriazol-3-ium-5-olate Traditional Name: 3-(4-bromophenyl)oxatriazol-3-ium-5-olate Formula: C7H4BrN3O2 MolecularWeight: 242.02956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+]2=NOC(=N2)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1[N+]2=NOC(=N2)[O-])Br

InChI

InChI=1S/C7H4BrN3O2/c8-5-1-3-6(4-2-5)11-9-7(12)13-10-11/h1-4H