ethyl 2-cyano-2-[(6-oxidanylidenecyclohexen-1-yl)methyl]butanoate

Systemtic Name: ethyl 2-cyano-2-[(6-oxidanylidenecyclohexen-1-yl)methyl]butanoate Openeye Name: ethyl 2-cyano-2-[(6-oxocyclohexen-1-yl)methyl]butanoate CAS Name: 2-cyano-2-[(6-oxo-1-cyclohexenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[(6-oxocyclohexen-1-yl)methyl]butanoate Traditional Name: 2-cyano-2-[(6-ketocyclohexen-1-yl)methyl]butyric acid ethyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CCCCC1=O)(C#N)C(=O)OCC

Isomeric SMILES

CCC(CC1=CCCCC1=O)(C#N)C(=O)OCC

InChI

InChI=1S/C14H19NO3/c1-3-14(10-15,13(17)18-4-2)9-11-7-5-6-8-12(11)16/h7H,3-6,8-9H2,1-2H3