(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C20H24F3N3O6 MolecularWeight: 459.41627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H24F3N3O6/c1-13(18(27)25-8-10-31-11-9-25)32-19(28)14-4-6-24(7-5-14)16-3-2-15(20(21,22)23)12-17(16)26(29)30/h2-3,12-14H,4-11H2,1H3