[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15F3N2O6 MolecularWeight: 412.31671

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O6/c1-10-3-8-14(23(26)27)16(11(10)2)22-15(24)9-28-17(25)12-4-6-13(7-5-12)29-18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24)