bis[(2-chloranyl-6-fluoranyl-phenyl)methyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[(2-chloranyl-6-fluoranyl-phenyl)methyl] pyridine-2,6-dicarboxylate Openeye Name: bis[(2-chloro-6-fluoro-phenyl)methyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[(2-chloro-6-fluorophenyl)methyl] ester IUPAC Name: bis[(2-chloro-6-fluorophenyl)methyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis(2-chloro-6-fluoro-benzyl) ester Formula: C21H13Cl2F2NO4 MolecularWeight: 452.235026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)COC(=O)C2=NC(=CC=C2)C(=O)OCC3=C(C=CC=C3Cl)F)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)COC(=O)C2=NC(=CC=C2)C(=O)OCC3=C(C=CC=C3Cl)F)F

InChI

InChI=1S/C21H13Cl2F2NO4/c22-14-4-1-6-16(24)12(14)10-29-20(27)18-8-3-9-19(26-18)21(28)30-11-13-15(23)5-2-7-17(13)25/h1-9H,10-11H2