4-[5-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-pentanoyl]benzenecarbonitrile

Systemtic Name: 4-[5-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-pentanoyl]benzenecarbonitrile Openeye Name: 4-[5-(4-hydroxy-3-methoxy-phenyl)-3-oxo-pentanoyl]benzonitrile CAS Name: 4-[5-(4-hydroxy-3-methoxyphenyl)-1,3-dioxopentyl]benzonitrile IUPAC Name: 4-[5-(4-hydroxy-3-methoxyphenyl)-3-oxopentanoyl]benzonitrile Traditional Name: 4-[5-(4-hydroxy-3-methoxy-phenyl)-3-keto-pentanoyl]benzonitrile Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)CC(=O)C2=CC=C(C=C2)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)CC(=O)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C19H17NO4/c1-24-19-10-13(5-9-17(19)22)4-8-16(21)11-18(23)15-6-2-14(12-20)3-7-15/h2-3,5-7,9-10,22H,4,8,11H2,1H3