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

Systemtic Name: 3-[(4-bromophenyl)methyl]-1,2,3,4-oxatriazol-3-ium-5-olate Openeye Name: 3-[(4-bromophenyl)methyl]oxatriazol-3-ium-5-olate CAS Name: 3-[(4-bromophenyl)methyl]-5-oxatriazol-3-iumolate IUPAC Name: 3-[(4-bromophenyl)methyl]oxatriazol-3-ium-5-olate Traditional Name: 3-(4-bromobenzyl)oxatriazol-3-ium-5-olate Formula: C8H6BrN3O2 MolecularWeight: 256.05614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=NOC(=N2)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=NOC(=N2)[O-])Br

InChI

InChI=1S/C8H6BrN3O2/c9-7-3-1-6(2-4-7)5-12-10-8(13)14-11-12/h1-4H,5H2