2,3-bis(oxidanyl)-5-(3-oxidanylidene-2-propanoyl-pent-1-enyl)benzenecarbonitrile

Systemtic Name: 2,3-bis(oxidanyl)-5-(3-oxidanylidene-2-propanoyl-pent-1-enyl)benzenecarbonitrile Openeye Name: 2,3-dihydroxy-5-(3-oxo-2-propanoyl-pent-1-enyl)benzonitrile CAS Name: 2,3-dihydroxy-5-[3-oxo-2-(1-oxopropyl)pent-1-enyl]benzonitrile IUPAC Name: 2,3-dihydroxy-5-(3-oxo-2-propanoylpent-1-enyl)benzonitrile Traditional Name: 2,3-dihydroxy-5-(3-keto-2-propionyl-pent-1-enyl)benzonitrile Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1=CC(=C(C(=C1)C#N)O)O)C(=O)CC

Isomeric SMILES

CCC(=O)C(=CC1=CC(=C(C(=C1)C#N)O)O)C(=O)CC

InChI

InChI=1S/C15H15NO4/c1-3-12(17)11(13(18)4-2)6-9-5-10(8-16)15(20)14(19)7-9/h5-7,19-20H,3-4H2,1-2H3