dimethyl (1S,4R,8R)-8-ethanoyl-5-azabicyclo[2.2.2]oct-2-ene-3,5-dicarboxylate

Systemtic Name: dimethyl (1S,4R,8R)-8-ethanoyl-5-azabicyclo[2.2.2]oct-2-ene-3,5-dicarboxylate Openeye Name: dimethyl (1S,4R,8R)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-3,5-dicarboxylate CAS Name: (1S,4R,8R)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4R,8R)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-3,5-dicarboxylate Traditional Name: (1S,4R,8R)-8-acetyl-5-azabicyclo[2.2.2]oct-2-ene-3,5-dicarboxylic acid dimethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC2CN(C1C(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)[C@@H]1C[C@@H]2CN([C@H]1C(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H17NO5/c1-7(15)9-4-8-5-10(12(16)18-2)11(9)14(6-8)13(17)19-3/h5,8-9,11H,4,6H2,1-3H3/t8-,9-,11+/m0/s1