[(1S,2R,8aR)-1-acetyloxy-8a-cyano-3-oxidanylidene-1,2,5,8-tetrahydroindolizin-2-yl] ethanoate

Systemtic Name: [(1S,2R,8aR)-1-acetyloxy-8a-cyano-3-oxidanylidene-1,2,5,8-tetrahydroindolizin-2-yl] ethanoate Openeye Name: [(1S,2R,8aR)-1-acetoxy-8a-cyano-3-oxo-1,2,5,8-tetrahydroindolizin-2-yl] acetate CAS Name: acetic acid [(1S,2R,8aR)-1-acetyloxy-8a-cyano-3-oxo-1,2,5,8-tetrahydroindolizin-2-yl] ester IUPAC Name: [(1S,2R,8aR)-1-acetyloxy-8a-cyano-3-oxo-1,2,5,8-tetrahydroindolizin-2-yl] acetate Traditional Name: acetic acid [(1S,2R,8aR)-1-acetoxy-8a-cyano-3-keto-1,2,5,8-tetrahydroindolizin-2-yl] ester Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2(CC=CCN2C1=O)C#N)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1[C@H]([C@@]2(CC=CCN2C1=O)C#N)OC(=O)C

InChI

InChI=1S/C13H14N2O5/c1-8(16)19-10-11(20-9(2)17)13(7-14)5-3-4-6-15(13)12(10)18/h3-4,10-11H,5-6H2,1-2H3/t10-,11-,13-/m1/s1