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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H20F3N3O6S MolecularWeight: 499.46021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O6S/c1-12(2)10-25-20(30)26-18(28)11-33-19(29)14-5-3-4-6-16(14)34-17-8-7-13(21(22,23)24)9-15(17)27(31)32/h3-9,12H,10-11H2,1-2H3,(H2,25,26,28,30)