[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethylsulfanyl)benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-(trifluoromethylsulfanyl)benzoate CAS Name: 4-(trifluoromethylthio)benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate Traditional Name: 4-(trifluoromethylthio)benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C16H11F3N2O5S MolecularWeight: 400.32915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2O5S/c17-16(18,19)27-11-7-5-10(6-8-11)15(23)26-9-14(22)20-12-3-1-2-4-13(12)21(24)25/h1-8H,9H2,(H,20,22)