4-[oxidanyl-(3-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[oxidanyl-(3-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[hydroxy-(3-hydroxy-4-oxo-pyran-2-yl)methyl]benzonitrile CAS Name: 4-[hydroxy-(3-hydroxy-4-oxo-2-pyranyl)methyl]benzonitrile IUPAC Name: 4-[hydroxy-(3-hydroxy-4-oxopyran-2-yl)methyl]benzonitrile Traditional Name: 4-[hydroxy-(3-hydroxy-4-keto-pyran-2-yl)methyl]benzonitrile Formula: C13H9NO4 MolecularWeight: 243.21486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=C(C(=O)C=CO2)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=C(C(=O)C=CO2)O)O

InChI

InChI=1S/C13H9NO4/c14-7-8-1-3-9(4-2-8)11(16)13-12(17)10(15)5-6-18-13/h1-6,11,16-17H