5,7-dinitro-3-oxidanidyl-N4,N6-di(propan-2-yl)-2,1,3-benzoxadiazol-3-ium-4,6-diamine

Systemtic Name: 5,7-dinitro-3-oxidanidyl-N4,N6-di(propan-2-yl)-2,1,3-benzoxadiazol-3-ium-4,6-diamine Openeye Name: N4,N6-diisopropyl-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4,6-diamine CAS Name: 5,7-dinitro-3-oxido-N4,N6-di(propan-2-yl)-2,1,3-benzoxadiazol-3-ium-4,6-diamine IUPAC Name: 5,7-dinitro-3-oxido-4-N,6-N-di(propan-2-yl)-2,1,3-benzoxadiazol-3-ium-4,6-diamine Traditional Name: isopropyl-[6-(isopropylamino)-5,7-dinitro-3-oxido-benzofurazan-3-ium-4-yl]amine Formula: C12H16N6O6 MolecularWeight: 340.29204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C2=NO[N+](=C2C(=C1[N+](=O)[O-])NC(C)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C2=NO[N+](=C2C(=C1[N+](=O)[O-])NC(C)C)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O6/c1-5(2)13-7-10(16(19)20)8(14-6(3)4)12-9(11(7)17(21)22)15-24-18(12)23/h5-6,13-14H,1-4H3