[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C20H18F3N3O6 MolecularWeight: 453.36863

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O6/c21-20(22,23)13-2-1-3-14(10-13)24-18(27)12-32-19(28)16-11-15(26(29)30)4-5-17(16)25-6-8-31-9-7-25/h1-5,10-11H,6-9,12H2,(H,24,27)