1-[4-(1,1-dinitroethyl)-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl]ethanone

Systemtic Name: 1-[4-(1,1-dinitroethyl)-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl]ethanone Openeye Name: 1-[4-(1,1-dinitroethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]ethanone CAS Name: 1-[4-(1,1-dinitroethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]ethanone IUPAC Name: 1-[4-(1,1-dinitroethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]ethanone Traditional Name: 1-[4-(1,1-dinitroethyl)-2-oxido-furazan-2-ium-3-yl]ethanone Formula: C6H6N4O7 MolecularWeight: 246.13444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](ON=C1C(C)([N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CC(=O)C1=[N+](ON=C1C(C)([N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C6H6N4O7/c1-3(11)4-5(7-17-8(4)12)6(2,9(13)14)10(15)16/h1-2H3