2,3-dimethyl-6-oxidanyl-5-(3-oxidanylidene-3-pyridin-4-yl-propanoyl)benzenecarbonitrile

Systemtic Name: 2,3-dimethyl-6-oxidanyl-5-(3-oxidanylidene-3-pyridin-4-yl-propanoyl)benzenecarbonitrile Openeye Name: 2-hydroxy-5,6-dimethyl-3-[3-oxo-3-(4-pyridyl)propanoyl]benzonitrile CAS Name: 3-(1,3-dioxo-3-pyridin-4-ylpropyl)-2-hydroxy-5,6-dimethylbenzonitrile IUPAC Name: 2-hydroxy-5,6-dimethyl-3-(3-oxo-3-pyridin-4-ylpropanoyl)benzonitrile Traditional Name: 2-hydroxy-3-[3-keto-3-(4-pyridyl)propanoyl]-5,6-dimethyl-benzonitrile Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C2=CC=NC=C2)O)C#N)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CC(=O)C2=CC=NC=C2)O)C#N)C

InChI

InChI=1S/C17H14N2O3/c1-10-7-13(17(22)14(9-18)11(10)2)16(21)8-15(20)12-3-5-19-6-4-12/h3-7,22H,8H2,1-2H3