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

Systemtic Name: 2-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]propanedinitrile; 2-phenylethanamine Openeye Name: 2-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]propanedinitrile; 2-phenylethanamine CAS Name: 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile; 2-phenylethanamine IUPAC Name: 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile; 2-phenylethanamine Traditional Name: 2-(4-hydroxy-3-iodo-5-methoxy-benzylidene)malononitrile; phenethylamine Formula: C19H18IN3O2 MolecularWeight: 447.26959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7IN2O2.C8H11N/c1-16-10-4-7(2-8(5-13)6-14)3-9(12)11(10)15;9-7-6-8-4-2-1-3-5-8/h2-4,15H,1H3;1-5H,6-7,9H2