5-bromanyl-1-oxidanidyl-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one

Systemtic Name: 5-bromanyl-1-oxidanidyl-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one Openeye Name: 5-bromo-1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one CAS Name: 5-bromo-1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one IUPAC Name: 5-bromo-1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one Traditional Name: 5-bromo-1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one Formula: C12H10BrN3O2 MolecularWeight: 308.1307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](N(N=C2C(=O)C1Br)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC2=[N+](N(N=C2C(=O)C1Br)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C12H10BrN3O2/c13-9-6-7-10-11(12(9)17)14-15(16(10)18)8-4-2-1-3-5-8/h1-5,9H,6-7H2