[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C12H11F3N2O5 MolecularWeight: 320.22135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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