[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C19H17F3N2O6S MolecularWeight: 458.40829

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=O)COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N2O6S/c1-29-9-8-23-17(25)11-30-18(26)13-4-2-3-5-15(13)31-16-7-6-12(19(20,21)22)10-14(16)24(27)28/h2-7,10H,8-9,11H2,1H3,(H,23,25)