(phenylmethyl) (1S,4R)-2,3-dioxa-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate

Systemtic Name: (phenylmethyl) (1S,4R)-2,3-dioxa-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate Openeye Name: benzyl (1S,4R)-2,3-dioxa-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate CAS Name: (1S,4R)-2,3-dioxa-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4R)-2,3-dioxa-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylate Traditional Name: (1S,4R)-2,3-dioxa-8-azabicyclo[2.2.2]oct-5-ene-8-carboxylic acid benzyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(N1C(=O)OCC3=CC=CC=C3)OO2

Isomeric SMILES

C1[C@@H]2C=C[C@H](N1C(=O)OCC3=CC=CC=C3)OO2

InChI

InChI=1S/C13H13NO4/c15-13(16-9-10-4-2-1-3-5-10)14-8-11-6-7-12(14)18-17-11/h1-7,11-12H,8-9H2/t11-,12+/m0/s1