[(1S,2S,4R)-4-cyano-2-nitro-cyclohexyl]-(4-nitrocyclohexyl)azanium

Systemtic Name: [(1S,2S,4R)-4-cyano-2-nitro-cyclohexyl]-(4-nitrocyclohexyl)azanium Openeye Name: [(1S,2S,4R)-4-cyano-2-nitro-cyclohexyl]-(4-nitrocyclohexyl)ammonium CAS Name: [(1S,2S,4R)-4-cyano-2-nitrocyclohexyl]-(4-nitrocyclohexyl)ammonium IUPAC Name: [(1S,2S,4R)-4-cyano-2-nitrocyclohexyl]-(4-nitrocyclohexyl)azanium Traditional Name: [(1S,2S,4R)-4-cyano-2-nitro-cyclohexyl]-(4-nitrocyclohexyl)ammonium Formula: C13H21N4O4+ MolecularWeight: 297.33024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH2+]C2CCC(CC2[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H]([C@H](C[C@@H]1C#N)[N+](=O)[O-])[NH2+]C2CCC(CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4/c14-8-9-1-6-12(13(7-9)17(20)21)15-10-2-4-11(5-3-10)16(18)19/h9-13,15H,1-7H2/p+1/t9-,10?,11?,12+,13+/m1/s1