4,6-dinitro-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-amine

Systemtic Name: 4,6-dinitro-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-amine Openeye Name: 4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-amine CAS Name: 4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-amine IUPAC Name: 4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium-5-amine Traditional Name: (4,6-dinitro-1-oxido-benzofurazan-1-ium-5-yl)amine Formula: C6H3N5O6 MolecularWeight: 241.11792

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C2=NO[N+](=C21)[O-])[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=C(C2=NO[N+](=C21)[O-])[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C6H3N5O6/c7-4-2(9(12)13)1-3-5(6(4)10(14)15)8-17-11(3)16/h1H,7H2