ethyl 4-(2-cyanoethyl)-3-methoxy-5-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-(2-cyanoethyl)-3-methoxy-5-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-(2-cyanoethyl)-3-methoxy-5-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(2-cyanoethyl)-3-methoxy-5-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyanoethyl)-3-methoxy-5-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(2-cyanoethyl)-5-keto-3-methoxy-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=C(C(=O)C1)CCC#N)OC

Isomeric SMILES

CCOC(=O)C1CC(=C(C(=O)C1)CCC#N)OC

InChI

InChI=1S/C13H17NO4/c1-3-18-13(16)9-7-11(15)10(5-4-6-14)12(8-9)17-2/h9H,3-5,7-8H2,1-2H3