bis(3-chloranyl-4-ethoxy-phenyl)boranyl 3-oxidanylpyridine-2-carboxylate

Systemtic Name: bis(3-chloranyl-4-ethoxy-phenyl)boranyl 3-oxidanylpyridine-2-carboxylate Openeye Name: bis(3-chloro-4-ethoxy-phenyl)boranyl 3-hydroxypyridine-2-carboxylate CAS Name: 3-hydroxy-2-pyridinecarboxylic acid bis(3-chloro-4-ethoxyphenyl)boranyl ester IUPAC Name: bis(3-chloro-4-ethoxyphenyl)boranyl 3-hydroxypyridine-2-carboxylate Traditional Name: 3-hydroxypicolinic acid bis(3-chloro-4-ethoxy-phenyl)boranyl ester Formula: C22H20BCl2NO5 MolecularWeight: 460.1149

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1)OCC)Cl)(C2=CC(=C(C=C2)OCC)Cl)OC(=O)C3=C(C=CC=N3)O

Isomeric SMILES

B(C1=CC(=C(C=C1)OCC)Cl)(C2=CC(=C(C=C2)OCC)Cl)OC(=O)C3=C(C=CC=N3)O

InChI

InChI=1S/C22H20BCl2NO5/c1-3-29-19-9-7-14(12-16(19)24)23(15-8-10-20(30-4-2)17(25)13-15)31-22(28)21-18(27)6-5-11-26-21/h5-13,27H,3-4H2,1-2H3