(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H18N2O7/c23-18-5-2-6-21(18)16-4-1-3-13(7-16)20(24)28-11-15-9-17(22(25)26)8-14-10-27-12-29-19(14)15/h1,3-4,7-9H,2,5-6,10-12H2