[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-4-(4-cyano-3-nitro-phenyl)-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (3R)-4-(4-cyano-3-nitro-phenyl)-3-methyl-4-oxidanylidene-butanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (3R)-4-(4-cyano-3-nitro-phenyl)-3-methyl-4-oxo-butanoate CAS Name: (3R)-4-(4-cyano-3-nitrophenyl)-3-methyl-4-oxobutanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-4-(4-cyano-3-nitrophenyl)-3-methyl-4-oxobutanoate Traditional Name: (3R)-4-(4-cyano-3-nitro-phenyl)-4-keto-3-methyl-butyric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(C)C(=O)C2=CC(=C(C=C2)C#N)[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-13(2)18-8-5-14(3)9-20(18)29-21(25)10-15(4)22(26)16-6-7-17(12-23)19(11-16)24(27)28/h6-7,11,13-15,18,20H,5,8-10H2,1-4H3/t14-,15-,18+,20-/m1/s1