4-[2-(4-methoxy-3-methyl-phenyl)-2-oxidanylidene-ethanoyl]-2-pyridin-3-yl-benzenecarbonitrile

Systemtic Name: 4-[2-(4-methoxy-3-methyl-phenyl)-2-oxidanylidene-ethanoyl]-2-pyridin-3-yl-benzenecarbonitrile Openeye Name: 4-[2-(4-methoxy-3-methyl-phenyl)-2-oxo-acetyl]-2-(3-pyridyl)benzonitrile CAS Name: 4-[2-(4-methoxy-3-methylphenyl)-1,2-dioxoethyl]-2-(3-pyridinyl)benzonitrile IUPAC Name: 4-[2-(4-methoxy-3-methylphenyl)-2-oxoacetyl]-2-pyridin-3-ylbenzonitrile Traditional Name: 4-[2-keto-2-(4-methoxy-3-methyl-phenyl)acetyl]-2-(3-pyridyl)benzonitrile Formula: C22H16N2O3 MolecularWeight: 356.37404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C(=O)C2=CC(=C(C=C2)C#N)C3=CN=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C(=O)C2=CC(=C(C=C2)C#N)C3=CN=CC=C3)OC

InChI

InChI=1S/C22H16N2O3/c1-14-10-15(7-8-20(14)27-2)21(25)22(26)16-5-6-17(12-23)19(11-16)18-4-3-9-24-13-18/h3-11,13H,1-2H3