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

Systemtic Name: [1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H20F3N3O5 MolecularWeight: 451.39581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O5/c1-13(19(28)25-16-7-3-2-6-15(16)21(22,23)24)32-20(29)14-8-9-17(18(12-14)27(30)31)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,25,28)