[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

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