(5S)-5-bromanyl-1-oxidanidyl-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-one

Systemtic Name: (5S)-5-bromanyl-1-oxidanidyl-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-one Openeye Name: (5S)-5-bromo-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-one CAS Name: (5S)-5-bromo-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-one IUPAC Name: (5S)-5-bromo-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-one Traditional Name: (5S)-5-bromo-1-oxido-6,7-dihydro-5H-benzofurazan-1-ium-4-one Formula: C6H5BrN2O3 MolecularWeight: 233.0195

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](ON=C2C(=O)C1Br)[O-]

Isomeric SMILES

C1CC2=[N+](ON=C2C(=O)[C@H]1Br)[O-]

InChI

InChI=1S/C6H5BrN2O3/c7-3-1-2-4-5(6(3)10)8-12-9(4)11/h3H,1-2H2/t3-/m0/s1