(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H14Cl2FNO4 MolecularWeight: 434.244563

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC(=C(N=C4)Cl)Cl)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC(=C(N=C4)Cl)Cl)F

InChI

InChI=1S/C21H14Cl2FNO4/c22-17-8-13(9-25-19(17)23)20(26)27-10-14-6-16(24)7-15-11-28-21(29-18(14)15)12-4-2-1-3-5-12/h1-9,21H,10-11H2