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

Systemtic Name: 1-oxidanidyl-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one Openeye Name: 1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one CAS Name: 1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one IUPAC Name: 1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one Traditional Name: 1-oxido-2-phenyl-6,7-dihydro-5H-benzotriazol-1-ium-4-one Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=[N+](N(N=C2C(=O)C1)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC2=[N+](N(N=C2C(=O)C1)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C12H11N3O2/c16-11-8-4-7-10-12(11)13-14(15(10)17)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2