ethyl (1S,2R,3R)-1-cyano-3-methyl-3-nitro-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2R,3R)-1-cyano-3-methyl-3-nitro-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2R,3R)-2-acetonyl-1-cyano-3-methyl-3-nitro-cyclohexanecarboxylate CAS Name: (1S,2R,3R)-1-cyano-3-methyl-3-nitro-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3R)-1-cyano-3-methyl-3-nitro-2-(2-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R,3R)-2-acetonyl-1-cyano-3-methyl-3-nitro-cyclohexanecarboxylic acid ethyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC(C1CC(=O)C)(C)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)[C@]1(CCC[C@@]([C@@H]1CC(=O)C)(C)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H20N2O5/c1-4-21-12(18)14(9-15)7-5-6-13(3,16(19)20)11(14)8-10(2)17/h11H,4-8H2,1-3H3/t11-,13+,14+/m0/s1