(3,4-dimethoxyphenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(3-nitrophenoxy)propyl]piperazino]methanone Formula: C22H27N3O7 MolecularWeight: 445.46568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7/c1-30-20-7-6-16(12-21(20)31-2)22(27)24-10-8-23(9-11-24)14-18(26)15-32-19-5-3-4-17(13-19)25(28)29/h3-7,12-13,18,26H,8-11,14-15H2,1-2H3