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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-ethylphenyl)-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-ethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H22N2O7/c1-2-14-3-5-18(6-4-14)23-10-15(9-20(23)25)22(26)30-12-17-8-19(24(27)28)7-16-11-29-13-31-21(16)17/h3-8,15H,2,9-13H2,1H3