1-(4-chloranylphenoxy)-1-(5-methoxy-2-nitro-phenoxy)-3-pyrrolidin-1-yl-propan-2-ol

Systemtic Name: 1-(4-chloranylphenoxy)-1-(5-methoxy-2-nitro-phenoxy)-3-pyrrolidin-1-yl-propan-2-ol Openeye Name: 1-(4-chlorophenoxy)-1-(5-methoxy-2-nitro-phenoxy)-3-pyrrolidin-1-yl-propan-2-ol CAS Name: 1-(4-chlorophenoxy)-1-(5-methoxy-2-nitrophenoxy)-3-(1-pyrrolidinyl)-2-propanol IUPAC Name: 1-(4-chlorophenoxy)-1-(5-methoxy-2-nitrophenoxy)-3-pyrrolidin-1-ylpropan-2-ol Traditional Name: 1-(4-chlorophenoxy)-1-(5-methoxy-2-nitro-phenoxy)-3-pyrrolidino-propan-2-ol Formula: C20H23ClN2O6 MolecularWeight: 422.85942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])OC(C(CN2CCCC2)O)OC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])OC(C(CN2CCCC2)O)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O6/c1-27-16-8-9-17(23(25)26)19(12-16)29-20(18(24)13-22-10-2-3-11-22)28-15-6-4-14(21)5-7-15/h4-9,12,18,20,24H,2-3,10-11,13H2,1H3