4-[1,3-bis(oxidanyl)-1-(3-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)propyl]benzenecarbonitrile

Systemtic Name: 4-[1,3-bis(oxidanyl)-1-(3-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl)propyl]benzenecarbonitrile Openeye Name: 4-[1,3-dihydroxy-1-(3-hydroxy-4-oxo-1H-pyridin-2-yl)propyl]benzonitrile CAS Name: 4-[1,3-dihydroxy-1-(3-hydroxy-4-oxo-1H-pyridin-2-yl)propyl]benzonitrile IUPAC Name: 4-[1,3-dihydroxy-1-(3-hydroxy-4-oxo-1H-pyridin-2-yl)propyl]benzonitrile Traditional Name: 4-[1,3-dihydroxy-1-(3-hydroxy-4-keto-1H-pyridin-2-yl)propyl]benzonitrile Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CCO)(C2=C(C(=O)C=CN2)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CCO)(C2=C(C(=O)C=CN2)O)O

InChI

InChI=1S/C15H14N2O4/c16-9-10-1-3-11(4-2-10)15(21,6-8-18)14-13(20)12(19)5-7-17-14/h1-5,7,18,20-21H,6,8H2,(H,17,19)