[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C15H16F3N3O5 MolecularWeight: 375.29985

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C15H16F3N3O5/c16-15(17,18)9-19-13(22)8-26-14(23)11-7-10(21(24)25)3-4-12(11)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8-9H2,(H,19,22)