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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=C(C(=O)C=CO2)O)O)C#N

Isomeric SMILES

CC1=C(C=CC(=C1C2=C(C(=O)C=CO2)O)O)C#N

InChI

InChI=1S/C13H9NO4/c1-7-8(6-14)2-3-9(15)11(7)13-12(17)10(16)4-5-18-13/h2-5,15,17H,1H3