1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2,4-dimethoxyphenyl)piperazino]-3-(4-nitrophenoxy)propan-2-ol Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C21H27N3O6/c1-28-19-7-8-20(21(13-19)29-2)23-11-9-22(10-12-23)14-17(25)15-30-18-5-3-16(4-6-18)24(26)27/h3-8,13,17,25H,9-12,14-15H2,1-2H3