4-[4-ethanoyl-5-oxidanylidene-2-(phenylcarbonyl)hexanoyl]benzenecarbonitrile

Systemtic Name: 4-[4-ethanoyl-5-oxidanylidene-2-(phenylcarbonyl)hexanoyl]benzenecarbonitrile Openeye Name: 4-(4-acetyl-2-benzoyl-5-oxo-hexanoyl)benzonitrile CAS Name: 4-(4-acetyl-2-benzoyl-1,5-dioxohexyl)benzonitrile IUPAC Name: 4-(4-acetyl-2-benzoyl-5-oxohexanoyl)benzonitrile Traditional Name: 4-(4-acetyl-2-benzoyl-5-keto-hexanoyl)benzonitrile Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-14(24)19(15(2)25)12-20(21(26)17-6-4-3-5-7-17)22(27)18-10-8-16(13-23)9-11-18/h3-11,19-20H,12H2,1-2H3