2-(5-cyano-2-oxidanyl-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]pyridine-4-carboxylic acid

Systemtic Name: 2-(5-cyano-2-oxidanyl-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]pyridine-4-carboxylic acid Openeye Name: 2-(5-cyano-2-hydroxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]pyridine-4-carboxylic acid CAS Name: 2-(5-cyano-2-hydroxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-4-pyridinecarboxylic acid IUPAC Name: 2-(5-cyano-2-hydroxyphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]pyridine-4-carboxylic acid Traditional Name: 2-(5-cyano-2-hydroxy-phenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]isonicotinic acid Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=CC(=C2)C(=O)O)OC3=C(C=CC(=C3)C#N)O

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC=C1)OC2=NC(=CC(=C2)C(=O)O)OC3=C(C=CC(=C3)C#N)O

InChI

InChI=1S/C22H17N3O6/c1-25(2)21(27)14-4-3-5-16(9-14)30-19-10-15(22(28)29)11-20(24-19)31-18-8-13(12-23)6-7-17(18)26/h3-11,26H,1-2H3,(H,28,29)