4-nitro-5-(2-nitropropan-2-yl)-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-6-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C2=NO[N+](=C2C=C1C#N)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=C(C2=NO[N+](=C2C=C1C#N)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

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