3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[oxo(1-piperidinyl)methyl]-2-propenenitrile IUPAC Name: 3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-(piperidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(piperidine-1-carbonyl)acrylonitrile Formula: C16H17IN2O3 MolecularWeight: 412.22225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCCCC2)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCCCC2)I)O

InChI

InChI=1S/C16H17IN2O3/c1-22-14-9-11(8-13(17)15(14)20)7-12(10-18)16(21)19-5-3-2-4-6-19/h7-9,20H,2-6H2,1H3