[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(trifluoromethyl)benzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H15F3N2O5/c1-10-7-14(15(23(26)27)8-11(10)2)22-16(24)9-28-17(25)12-5-3-4-6-13(12)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24)