(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H22N2O8/c1-2-30-19-5-3-17(4-6-19)23-10-14(9-20(23)25)22(26)31-12-16-8-18(24(27)28)7-15-11-29-13-32-21(15)16/h3-8,14H,2,9-13H2,1H3