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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 2-(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 2-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 2-(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=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

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