2-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]propanedinitrile; piperidine

Systemtic Name: 2-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]propanedinitrile; piperidine Openeye Name: 2-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]propanedinitrile; piperidine CAS Name: 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile; piperidine IUPAC Name: 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile; piperidine Traditional Name: 2-(4-hydroxy-3-iodo-5-methoxy-benzylidene)malononitrile; piperidine Formula: C16H18IN3O2 MolecularWeight: 411.23749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C#N)I)O.C1CCNCC1

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C#N)I)O.C1CCNCC1

InChI

InChI=1S/C11H7IN2O2.C5H11N/c1-16-10-4-7(2-8(5-13)6-14)3-9(12)11(10)15;1-2-4-6-5-3-1/h2-4,15H,1H3;6H,1-5H2