2-(5-ethanoyl-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-ethanoyl-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-acetyl-2-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-15(25)16-3-8-20(29-2)17(13-16)14-21(26)23-11-9-22(10-12-23)18-4-6-19(7-5-18)24(27)28/h3-8,13H,9-12,14H2,1-2H3