[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H13F3N2O6/c1-10-13(3-2-4-14(10)22(25)26)21-15(23)9-27-16(24)11-5-7-12(8-6-11)28-17(18,19)20/h2-8H,9H2,1H3,(H,21,23)