2-[4-(1,3-benzodioxol-5-yl)-3-cyano-phenyl]-5-oxidanyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-phenyl]-5-oxidanyl-pyridine-4-carboxylic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-phenyl]-5-hydroxy-pyridine-4-carboxylic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyanophenyl]-5-hydroxy-4-pyridinecarboxylic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyanophenyl]-5-hydroxypyridine-4-carboxylic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-phenyl]-5-hydroxy-isonicotinic acid Formula: C20H12N2O5 MolecularWeight: 360.31968

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=C(C=C3)C4=NC=C(C(=C4)C(=O)O)O)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=C(C=C3)C4=NC=C(C(=C4)C(=O)O)O)C#N

InChI

InChI=1S/C20H12N2O5/c21-8-13-5-12(16-7-15(20(24)25)17(23)9-22-16)1-3-14(13)11-2-4-18-19(6-11)27-10-26-18/h1-7,9,23H,10H2,(H,24,25)