1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-28-18-12-15(13-19(29-2)21(18)30-3)14-20(25)23-10-8-22(9-11-23)16-4-6-17(7-5-16)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3