[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H12F2N2O5S MolecularWeight: 382.338686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F2N2O5S/c1-9-4-5-10(7-12(9)20(23)24)13(21)8-25-15(22)11-3-2-6-19-14(11)26-16(17)18/h2-7,16H,8H2,1H3