(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H12F2N2O6S MolecularWeight: 398.338086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(N=CC=C3)SC(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=C(N=CC=C3)SC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F2N2O6S/c17-16(18)27-14-12(2-1-3-19-14)15(21)25-7-10-5-11(20(22)23)4-9-6-24-8-26-13(9)10/h1-5,16H,6-8H2