[1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H14F3N3O7 MolecularWeight: 441.31487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O7/c1-9-14(23(27)28)7-11(8-15(9)24(29)30)17(26)31-10(2)16(25)22-13-6-4-3-5-12(13)18(19,20)21/h3-8,10H,1-2H3,(H,22,25)