[1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-nitrobenzoate Openeye Name: [1-methyl-2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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