[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C11H10F3N3O5 MolecularWeight: 321.20941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-])N

InChI

InChI=1S/C11H10F3N3O5/c12-11(13,14)5-16-9(18)4-22-10(19)6-1-2-7(15)8(3-6)17(20)21/h1-3H,4-5,15H2,(H,16,18)