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

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-3-(3-nitrophenoxy)propan-2-ol Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c25-18(15-30-19-5-1-4-17(13-19)24(26)27)14-23-9-2-6-20(23)16-7-8-21-22(12-16)29-11-3-10-28-21/h1,4-5,7-8,12-13,18,20,25H,2-3,6,9-11,14-15H2