1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-(3-nitrophenoxy)propan-2-ol Formula: C21H24N2O6 MolecularWeight: 400.42506

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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)OCCO4

Isomeric SMILES

C1CC(N(C1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O6/c24-17(14-29-18-4-1-3-16(12-18)23(25)26)13-22-8-2-5-19(22)15-6-7-20-21(11-15)28-10-9-27-20/h1,3-4,6-7,11-12,17,19,24H,2,5,8-10,13-14H2