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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C20H18F3N3O7 MolecularWeight: 469.36803

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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=C(C=C3)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O7/c21-20(22,23)33-15-4-1-13(2-5-15)24-18(27)12-32-19(28)16-11-14(26(29)30)3-6-17(16)25-7-9-31-10-8-25/h1-6,11H,7-10,12H2,(H,24,27)