[(1R,4E,5S)-5-acetyloxy-4-(cyanomethylidene)cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1R,4E,5S)-5-acetyloxy-4-(cyanomethylidene)cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1R,4E,5S)-5-acetoxy-4-(cyanomethylene)cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1R,4E,5S)-5-acetyloxy-4-(cyanomethylidene)-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4E,5S)-5-acetyloxy-4-(cyanomethylidene)cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1R,4E,5S)-5-acetoxy-4-(cyanomethylene)cyclohex-2-en-1-yl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(=CC#N)C=C1)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1C[C@@H](/C(=C/C#N)/C=C1)OC(=O)C

InChI

InChI=1S/C12H13NO4/c1-8(14)16-11-4-3-10(5-6-13)12(7-11)17-9(2)15/h3-5,11-12H,7H2,1-2H3/b10-5+/t11-,12-/m0/s1