ethyl 4-(2-cyanoethyl)-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-(2-cyanoethyl)-3,5-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: ethyl 4-(2-cyanoethyl)-3,5-dioxo-cyclohexanecarboxylate CAS Name: 4-(2-cyanoethyl)-3,5-dioxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyanoethyl)-3,5-dioxocyclohexane-1-carboxylate Traditional Name: 4-(2-cyanoethyl)-3,5-diketo-cyclohexanecarboxylic acid ethyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-2-17-12(16)8-6-10(14)9(4-3-5-13)11(15)7-8/h8-9H,2-4,6-7H2,1H3