ethyl 2-cyano-1,4-diethyl-2-oxidanyl-3-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: ethyl 2-cyano-1,4-diethyl-2-oxidanyl-3-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: ethyl 2-cyano-1,4-diethyl-2-hydroxy-3-oxo-cyclopentanecarboxylate CAS Name: 2-cyano-1,4-diethyl-2-hydroxy-3-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-1,4-diethyl-2-hydroxy-3-oxocyclopentane-1-carboxylate Traditional Name: 2-cyano-1,4-diethyl-2-hydroxy-3-keto-cyclopentanecarboxylic acid ethyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C1=O)(C#N)O)(CC)C(=O)OCC

Isomeric SMILES

CCC1CC(C(C1=O)(C#N)O)(CC)C(=O)OCC

InChI

InChI=1S/C13H19NO4/c1-4-9-7-12(5-2,11(16)18-6-3)13(17,8-14)10(9)15/h9,17H,4-7H2,1-3H3