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

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H11F3N2O5 MolecularWeight: 320.22135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11F3N2O5/c1-7-2-3-8(4-9(7)17(20)21)11(19)22-5-10(18)16-6-12(13,14)15/h2-4H,5-6H2,1H3,(H,16,18)