1-[4-[(3-nitro-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone

Systemtic Name: 1-[4-[(3-nitro-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-hydroxy-3-nitro-phenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone CAS Name: 1-[4-[(4-hydroxy-3-nitrophenyl)methyl]-1-piperazinyl]-2-(3,4,5-trimethoxyphenoxy)ethanone IUPAC Name: 1-[4-[(4-hydroxy-3-nitrophenyl)methyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)ethanone Traditional Name: 1-[4-(4-hydroxy-3-nitro-benzyl)piperazino]-2-(3,4,5-trimethoxyphenoxy)ethanone Formula: C22H27N3O8 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O8/c1-30-19-11-16(12-20(31-2)22(19)32-3)33-14-21(27)24-8-6-23(7-9-24)13-15-4-5-18(26)17(10-15)25(28)29/h4-5,10-12,26H,6-9,13-14H2,1-3H3