(1R,3S,4S)-3-nitro-4-[(4-nitrocyclohexyl)amino]cyclohexane-1-carbonitrile

Systemtic Name: (1R,3S,4S)-3-nitro-4-[(4-nitrocyclohexyl)amino]cyclohexane-1-carbonitrile Openeye Name: (1R,3S,4S)-3-nitro-4-[(4-nitrocyclohexyl)amino]cyclohexanecarbonitrile CAS Name: (1R,3S,4S)-3-nitro-4-[(4-nitrocyclohexyl)amino]-1-cyclohexanecarbonitrile IUPAC Name: (1R,3S,4S)-3-nitro-4-[(4-nitrocyclohexyl)amino]cyclohexane-1-carbonitrile Traditional Name: (1R,3S,4S)-3-nitro-4-[(4-nitrocyclohexyl)amino]cyclohexanecarbonitrile Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2CCC(CC2[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H]([C@H](C[C@@H]1C#N)[N+](=O)[O-])NC2CCC(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/t9-,10?,11?,12+,13+/m1/s1