1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(4-nitrophenoxy)ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(4-nitrophenoxy)ethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(4-nitrophenoxy)ethanone Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O6/c24-21(14-29-17-7-5-16(6-8-17)23(25)26)22-10-1-3-18(22)15-4-9-19-20(13-15)28-12-2-11-27-19/h4-9,13,18H,1-3,10-12,14H2