N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanamide

Systemtic Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanamide Openeye Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide CAS Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(2-oxo-1-pyrrolidinyl)phenoxy]acetamide IUPAC Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide Traditional Name: 2-[3-(2-ketopyrrolidino)phenoxy]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)OCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)OCC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C21H21N3O7/c25-20(13-31-15-5-1-4-14(10-15)23-7-2-6-21(23)26)22-16-11-18-19(12-17(16)24(27)28)30-9-3-8-29-18/h1,4-5,10-12H,2-3,6-9,13H2,(H,22,25)