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

Systemtic Name: 3-[(4-bromophenyl)methyl]-2H-1,2,3,4-oxatriazol-3-ium-5-one Openeye Name: 3-[(4-bromophenyl)methyl]-2H-oxatriazol-3-ium-5-one CAS Name: 3-[(4-bromophenyl)methyl]-2H-oxatriazol-3-ium-5-one IUPAC Name: 3-[(4-bromophenyl)methyl]-2H-oxatriazol-3-ium-5-one Traditional Name: 3-(4-bromobenzyl)-2H-oxatriazol-3-ium-5-one Formula: C8H7BrN3O2+ MolecularWeight: 257.06408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=NC(=O)ON2)Br

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=NC(=O)ON2)Br

InChI

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