methyl (1R,2R,4S)-3-acetyloxy-2-cyano-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: methyl (1R,2R,4S)-3-acetyloxy-2-cyano-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: methyl (1R,2R,4S)-3-acetoxy-2-cyano-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (1R,2R,4S)-3-acetyloxy-2-cyano-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4S)-3-acetyloxy-2-cyano-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (1R,2R,4S)-3-acetoxy-2-cyano-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid methyl ester Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C2CC(C1(C#N)C(=O)OC)C=C2

Isomeric SMILES

CC(=O)ON1[C@H]2C[C@@H]([C@@]1(C#N)C(=O)OC)C=C2

InChI

InChI=1S/C11H12N2O4/c1-7(14)17-13-9-4-3-8(5-9)11(13,6-12)10(15)16-2/h3-4,8-9H,5H2,1-2H3/t8-,9+,11-/m0/s1