2-(5-cyano-2-oxidanyl-phenoxy)-6-(3-imidazol-1-ylphenoxy)pyridine-4-carboxylic acid

Systemtic Name: 2-(5-cyano-2-oxidanyl-phenoxy)-6-(3-imidazol-1-ylphenoxy)pyridine-4-carboxylic acid Openeye Name: 2-(5-cyano-2-hydroxy-phenoxy)-6-(3-imidazol-1-ylphenoxy)pyridine-4-carboxylic acid CAS Name: 2-(5-cyano-2-hydroxyphenoxy)-6-[3-(1-imidazolyl)phenoxy]-4-pyridinecarboxylic acid IUPAC Name: 2-(5-cyano-2-hydroxyphenoxy)-6-(3-imidazol-1-ylphenoxy)pyridine-4-carboxylic acid Traditional Name: 2-(5-cyano-2-hydroxy-phenoxy)-6-(3-imidazol-1-ylphenoxy)isonicotinic acid Formula: C22H14N4O5 MolecularWeight: 414.37036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=CC(=C2)C(=O)O)OC3=C(C=CC(=C3)C#N)O)N4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=CC(=C2)C(=O)O)OC3=C(C=CC(=C3)C#N)O)N4C=CN=C4

InChI

InChI=1S/C22H14N4O5/c23-12-14-4-5-18(27)19(8-14)31-21-10-15(22(28)29)9-20(25-21)30-17-3-1-2-16(11-17)26-7-6-24-13-26/h1-11,13,27H,(H,28,29)