[1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C21H20F3N3O6 MolecularWeight: 467.39521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2CCOCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O6/c1-13(33-20(29)14-2-5-16(6-3-14)27(30)31)19(28)25-17-12-15(21(22,23)24)4-7-18(17)26-8-10-32-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,25,28)