2-(4-ethanoylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethanoylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-acetylphenoxy)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C21H20F3N3O5 MolecularWeight: 451.39581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O5/c1-14(28)15-2-5-17(6-3-15)32-13-20(29)26-10-8-25(9-11-26)18-7-4-16(21(22,23)24)12-19(18)27(30)31/h2-7,12H,8-11,13H2,1H3