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

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-nitrophenyl)ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-nitrophenyl)ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(2-nitrophenyl)ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-(2-nitrophenyl)ethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(2-nitrophenyl)ethanone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)CC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N2O5/c24-21(14-15-5-1-2-6-18(15)23(25)26)22-10-3-7-17(22)16-8-9-19-20(13-16)28-12-4-11-27-19/h1-2,5-6,8-9,13,17H,3-4,7,10-12,14H2