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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-(phenylmethyl)-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-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-pyrrolidine-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H20N2O7/c24-19-8-15(10-22(19)9-14-4-2-1-3-5-14)21(25)29-12-17-7-18(23(26)27)6-16-11-28-13-30-20(16)17/h1-7,15H,8-13H2