ethyl (1R,2S,3R)-3-cyano-2-(furan-2-yl)-6-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S,3R)-3-cyano-2-(furan-2-yl)-6-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S,3R)-3-cyano-2-(2-furyl)-6-oxo-cyclohexanecarboxylate CAS Name: (1R,2S,3R)-3-cyano-2-(2-furanyl)-6-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,3R)-3-cyano-2-(furan-2-yl)-6-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S,3R)-3-cyano-2-(2-furyl)-6-keto-cyclohexanecarboxylic acid ethyl ester Formula: C14H15NO4 MolecularWeight: 261.2732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(CCC1=O)C#N)C2=CC=CO2

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@@H](CCC1=O)C#N)C2=CC=CO2

InChI

InChI=1S/C14H15NO4/c1-2-18-14(17)13-10(16)6-5-9(8-15)12(13)11-4-3-7-19-11/h3-4,7,9,12-13H,2,5-6H2,1H3/t9-,12+,13-/m0/s1