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

Systemtic Name: ethyl (1S,2R,3R)-1-cyano-3-nitro-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2R,3R)-2-acetonyl-1-cyano-3-nitro-cyclohexanecarboxylate CAS Name: (1S,2R,3R)-1-cyano-3-nitro-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,3R)-1-cyano-3-nitro-2-(2-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R,3R)-2-acetonyl-1-cyano-3-nitro-cyclohexanecarboxylic acid ethyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c1-3-20-12(17)13(8-14)6-4-5-11(15(18)19)10(13)7-9(2)16/h10-11H,3-7H2,1-2H3/t10-,11+,13+/m0/s1