5-nitro-4-(2-nitropropan-2-yl)-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-7-carbonitrile

Systemtic Name: 5-nitro-4-(2-nitropropan-2-yl)-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-7-carbonitrile Openeye Name: 4-(1-methyl-1-nitro-ethyl)-5-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-carbonitrile CAS Name: 5-nitro-4-(2-nitropropan-2-yl)-3-oxido-2,1,3-benzoxadiazol-3-ium-7-carbonitrile IUPAC Name: 5-nitro-4-(2-nitropropan-2-yl)-3-oxido-2,1,3-benzoxadiazol-3-ium-7-carbonitrile Traditional Name: 7-(1-methyl-1-nitro-ethyl)-6-nitro-1-oxido-benzofurazan-1-ium-4-carbonitrile Formula: C10H7N5O6 MolecularWeight: 293.19248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=C(C2=NO[N+](=C12)[O-])C#N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C=C(C2=NO[N+](=C12)[O-])C#N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7N5O6/c1-10(2,15(19)20)7-6(13(16)17)3-5(4-11)8-9(7)14(18)21-12-8/h3H,1-2H3