(E)-3-[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-(3,5-dimethylphenoxy)-5-iodanyl-2-methyl-6-oxidanylidene-1H-pyridin-3-yl]prop-2-enenitrile Openeye Name: (E)-3-[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]prop-2-enenitrile CAS Name: (E)-3-[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]-2-propenenitrile IUPAC Name: (E)-3-[4-(3,5-dimethylphenoxy)-5-iodo-2-methyl-6-oxo-1H-pyridin-3-yl]prop-2-enenitrile Traditional Name: (E)-3-[4-(3,5-dimethylphenoxy)-5-iodo-6-keto-2-methyl-1H-pyridin-3-yl]acrylonitrile Formula: C17H15IN2O2 MolecularWeight: 406.21767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2C=CC#N)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=C2/C=C/C#N)C)I)C

InChI

InChI=1S/C17H15IN2O2/c1-10-7-11(2)9-13(8-10)22-16-14(5-4-6-19)12(3)20-17(21)15(16)18/h4-5,7-9H,1-3H3,(H,20,21)/b5-4+