3,3-dinitroazetidin-1-ium; 2,4-dinitroimidazole-2-carboxylate

Systemtic Name: 3,3-dinitroazetidin-1-ium; 2,4-dinitroimidazole-2-carboxylate Openeye Name: 3,3-dinitroazetidin-1-ium; 2,4-dinitroimidazole-2-carboxylate CAS Name: 3,3-dinitroazetidin-1-ium; 2,4-dinitro-2-imidazolecarboxylate IUPAC Name: 3,3-dinitroazetidin-1-ium; 2,4-dinitroimidazole-2-carboxylate Traditional Name: 3,3-dinitroazetidin-1-ium; 2,4-dinitroimidazole-2-carboxylate Formula: C7H7N7O10 MolecularWeight: 349.17138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]1)([N+](=O)[O-])[N+](=O)[O-].C1=NC(N=C1[N+](=O)[O-])(C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(C[NH2+]1)([N+](=O)[O-])[N+](=O)[O-].C1=NC(N=C1[N+](=O)[O-])(C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C4H2N4O6.C3H5N3O4/c9-3(10)4(8(13)14)5-1-2(6-4)7(11)12;7-5(8)3(6(9)10)1-4-2-3/h1H,(H,9,10);4H,1-2H2