2-(4-methoxy-2-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-methoxy-2-nitrophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-methoxy-2-nitrophenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-methoxy-2-nitro-phenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C20H20F3N3O5 MolecularWeight: 439.38511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O5/c1-30-16-5-6-18(17(12-16)26(28)29)31-13-19(27)25-9-7-24(8-10-25)15-4-2-3-14(11-15)20(21,22)23/h2-6,11-12H,7-10,13H2,1H3