ethyl (2S,3S,4R)-2-cyano-1,4-dimethyl-4-nitro-3-(2-oxidanylidenepropyl)piperidine-2-carboxylate

Systemtic Name: ethyl (2S,3S,4R)-2-cyano-1,4-dimethyl-4-nitro-3-(2-oxidanylidenepropyl)piperidine-2-carboxylate Openeye Name: ethyl (2S,3S,4R)-3-acetonyl-2-cyano-1,4-dimethyl-4-nitro-piperidine-2-carboxylate CAS Name: (2S,3S,4R)-2-cyano-1,4-dimethyl-4-nitro-3-(2-oxopropyl)-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R)-2-cyano-1,4-dimethyl-4-nitro-3-(2-oxopropyl)piperidine-2-carboxylate Traditional Name: (2S,3S,4R)-3-acetonyl-2-cyano-1,4-dimethyl-4-nitro-pipecolinic acid ethyl ester Formula: C14H21N3O5 MolecularWeight: 311.33364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(CCN1C)(C)[N+](=O)[O-])CC(=O)C)C#N

Isomeric SMILES

CCOC(=O)[C@]1([C@@H]([C@](CCN1C)(C)[N+](=O)[O-])CC(=O)C)C#N

InChI

InChI=1S/C14H21N3O5/c1-5-22-12(19)14(9-15)11(8-10(2)18)13(3,17(20)21)6-7-16(14)4/h11H,5-8H2,1-4H3/t11-,13-,14-/m1/s1