ethyl (1R,4R,8R)-8-acetyloxy-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate

Systemtic Name: ethyl (1R,4R,8R)-8-acetyloxy-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: ethyl (1R,4R,8R)-8-acetoxy-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1R,4R,8R)-8-acetyloxy-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,4R,8R)-8-acetyloxy-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1R,4R,8R)-8-acetoxy-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid ethyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2CC(C1C=C2)(C#N)OC(=O)C

Isomeric SMILES

CCOC(=O)N1C[C@@H]2C[C@@]([C@H]1C=C2)(C#N)OC(=O)C

InChI

InChI=1S/C13H16N2O4/c1-3-18-12(17)15-7-10-4-5-11(15)13(6-10,8-14)19-9(2)16/h4-5,10-11H,3,6-7H2,1-2H3/t10-,11+,13-/m0/s1