[2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C24H25F3N4O6 MolecularWeight: 522.47371

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H25F3N4O6/c25-24(26,27)17-4-6-19(30-9-11-36-12-10-30)18(14-17)28-22(32)15-37-23(33)16-3-5-20(21(13-16)31(34)35)29-7-1-2-8-29/h3-6,13-14H,1-2,7-12,15H2,(H,28,32)