[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCCO3)/N

InChI

InChI=1S/C19H19N3O6/c1-11(21)14(8-20)15(23)10-28-19(25)12-6-18(24)22(9-12)13-2-3-16-17(7-13)27-5-4-26-16/h2-3,7,12H,4-6,9-10,21H2,1H3/b14-11+