7,7-dinitro-3-oxidanidyl-2-phenyl-5,6-dihydro-4H-benzotriazol-3-ium

Systemtic Name: 7,7-dinitro-3-oxidanidyl-2-phenyl-5,6-dihydro-4H-benzotriazol-3-ium Openeye Name: 7,7-dinitro-3-oxido-2-phenyl-5,6-dihydro-4H-benzotriazol-3-ium CAS Name: 7,7-dinitro-3-oxido-2-phenyl-5,6-dihydro-4H-benzotriazol-3-ium IUPAC Name: 7,7-dinitro-3-oxido-2-phenyl-5,6-dihydro-4H-benzotriazol-3-ium Traditional Name: 7,7-dinitro-3-oxido-2-phenyl-5,6-dihydro-4H-benzotriazol-3-ium Formula: C12H11N5O5 MolecularWeight: 305.24624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O5/c18-15-10-7-4-8-12(16(19)20,17(21)22)11(10)13-14(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2