[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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