(2S,4S,5S,6S)-4-ethyl-5-nitro-2,6-diphenyl-cyclohexane-1,1,3,3-tetracarbonitrile

Systemtic Name: (2S,4S,5S,6S)-4-ethyl-5-nitro-2,6-diphenyl-cyclohexane-1,1,3,3-tetracarbonitrile Openeye Name: (2S,4S,5S,6S)-4-ethyl-5-nitro-2,6-diphenyl-cyclohexane-1,1,3,3-tetracarbonitrile CAS Name: (2S,4S,5S,6S)-4-ethyl-5-nitro-2,6-diphenylcyclohexane-1,1,3,3-tetracarbonitrile IUPAC Name: (2S,4S,5S,6S)-4-ethyl-5-nitro-2,6-diphenylcyclohexane-1,1,3,3-tetracarbonitrile Traditional Name: (2S,4S,5S,6S)-4-ethyl-5-nitro-2,6-diphenyl-cyclohexane-1,1,3,3-tetracarbonitrile Formula: C24H19N5O2 MolecularWeight: 409.43996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(C1(C#N)C#N)C2=CC=CC=C2)(C#N)C#N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]1[C@@H]([C@H](C([C@H](C1(C#N)C#N)C2=CC=CC=C2)(C#N)C#N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O2/c1-2-19-21(29(30)31)20(17-9-5-3-6-10-17)24(15-27,16-28)22(23(19,13-25)14-26)18-11-7-4-8-12-18/h3-12,19-22H,2H2,1H3/t19-,20-,21+,22+/m1/s1