(3aR,6aS)-4,6-diethanoyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

Systemtic Name: (3aR,6aS)-4,6-diethanoyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione Openeye Name: (3aR,6aS)-4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione CAS Name: (3aR,6aS)-4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione IUPAC Name: (3aR,6aS)-4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione Traditional Name: (3aR,6aS)-4,6-diacetyl-3-nitro-3a,6a-dihydro-1H-imidaz[4,5-d]imidazole-2,5-quinone Formula: C8H9N5O6 MolecularWeight: 271.18696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2C(N(C(=O)N2)[N+](=O)[O-])N(C1=O)C(=O)C

Isomeric SMILES

CC(=O)N1[C@H]2[C@@H](N(C(=O)N2)[N+](=O)[O-])N(C1=O)C(=O)C

InChI

InChI=1S/C8H9N5O6/c1-3(14)10-5-6(11(4(2)15)8(10)17)12(13(18)19)7(16)9-5/h5-6H,1-2H3,(H,9,16)/t5-,6+/m0/s1