[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl] ester Formula: C16H14F2N2O6S MolecularWeight: 400.353966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=C(N=CC=C2)SC)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=C(N=CC=C2)SC)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C16H14F2N2O6S/c1-24-12-6-9(11(20(22)23)7-13(12)26-16(17)18)8-25-15(21)10-4-3-5-19-14(10)27-2/h3-7,16H,8H2,1-2H3