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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c1-4-20-11(17)13(8-14)6-5-12(3,15(18)19)10(13)7-9(2)16/h10H,4-7H2,1-3H3/t10-,12+,13+/m0/s1