5,7-dinitro-3-oxidanidyl-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine

Systemtic Name: 5,7-dinitro-3-oxidanidyl-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine Openeye Name: 5,7-dinitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine CAS Name: 5,7-dinitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine IUPAC Name: 5,7-dinitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine Traditional Name: (5,7-dinitro-3-oxido-benzofurazan-3-ium-4-yl)-phenyl-amine Formula: C12H7N5O6 MolecularWeight: 317.21388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N5O6/c18-15(19)8-6-9(16(20)21)11-12(17(22)23-14-11)10(8)13-7-4-2-1-3-5-7/h1-6,13H