4-nitro-5-(2-nitropropan-2-yl)-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium

Systemtic Name: 4-nitro-5-(2-nitropropan-2-yl)-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium Openeye Name: 5-(1-methyl-1-nitro-ethyl)-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium CAS Name: 4-nitro-5-(2-nitropropan-2-yl)-1-oxido-2,1,3-benzoxadiazol-1-ium IUPAC Name: 4-nitro-5-(2-nitropropan-2-yl)-1-oxido-2,1,3-benzoxadiazol-1-ium Traditional Name: 5-(1-methyl-1-nitro-ethyl)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C9H8N4O6 MolecularWeight: 268.18302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O6/c1-9(2,13(17)18)5-3-4-6-7(8(5)11(14)15)10-19-12(6)16/h3-4H,1-2H3