3,3-dinitroazetidin-1-ium; 3-nitro-5-oxidanylidene-1H-1,2,4-triazole-2-carboxylate

Systemtic Name: 3,3-dinitroazetidin-1-ium; 3-nitro-5-oxidanylidene-1H-1,2,4-triazole-2-carboxylate Openeye Name: 3,3-dinitroazetidin-1-ium; 3-nitro-5-oxo-1H-1,2,4-triazole-2-carboxylate CAS Name: 3,3-dinitroazetidin-1-ium; 3-nitro-5-oxo-1H-1,2,4-triazole-2-carboxylate IUPAC Name: 3,3-dinitroazetidin-1-ium; 3-nitro-5-oxo-1H-1,2,4-triazole-2-carboxylate Traditional Name: 3,3-dinitroazetidin-1-ium; 5-keto-3-nitro-1H-1,2,4-triazole-2-carboxylate Formula: C6H7N7O9 MolecularWeight: 321.16128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]1)([N+](=O)[O-])[N+](=O)[O-].C1(=O)NN(C(=N1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C(C[NH2+]1)([N+](=O)[O-])[N+](=O)[O-].C1(=O)NN(C(=N1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C3H2N4O5.C3H5N3O4/c8-1-4-2(7(11)12)6(5-1)3(9)10;7-5(8)3(6(9)10)1-4-2-3/h(H,5,8)(H,9,10);4H,1-2H2