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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: 5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: 5-keto-1-phenethyl-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:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H22N2O7/c25-20-10-16(11-23(20)7-6-15-4-2-1-3-5-15)22(26)30-13-18-9-19(24(27)28)8-17-12-29-14-31-21(17)18/h1-5,8-9,16H,6-7,10-14H2