[1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H15F3N2O5/c1-10-6-5-9-14(23(26)27)15(10)17(25)28-11(2)16(24)22-13-8-4-3-7-12(13)18(19,20)21/h3-9,11H,1-2H3,(H,22,24)