5-(4-bromophenyl)-1-oxidanylidene-1,2,3-triazolidin-1-ium-4-one

Systemtic Name: 5-(4-bromophenyl)-1-oxidanylidene-1,2,3-triazolidin-1-ium-4-one Openeye Name: 5-(4-bromophenyl)-1-oxo-triazolidin-1-ium-4-one CAS Name: 5-(4-bromophenyl)-1-oxo-4-triazolidin-1-iumone IUPAC Name: 5-(4-bromophenyl)-1-oxotriazolidin-1-ium-4-one Traditional Name: 5-(4-bromophenyl)-1-keto-triazolidin-1-ium-4-one Formula: C8H7BrN3O2+ MolecularWeight: 257.06408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=O)NN[N+]2=O)Br

Isomeric SMILES

C1=CC(=CC=C1C2C(=O)NN[N+]2=O)Br

InChI

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