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

Systemtic Name: 2-ethoxyethanamine; 2-[(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]propanedinitrile Openeye Name: 2-ethoxyethanamine; 2-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylene]propanedinitrile CAS Name: 2-ethoxyethanamine; 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile IUPAC Name: 2-ethoxyethanamine; 2-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]propanedinitrile Traditional Name: 2-ethoxyethylamine; 2-(4-hydroxy-3-iodo-5-methoxy-benzylidene)malononitrile Formula: C15H18IN3O3 MolecularWeight: 415.22619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7IN2O2.C4H11NO/c1-16-10-4-7(2-8(5-13)6-14)3-9(12)11(10)15;1-2-6-4-3-5/h2-4,15H,1H3;2-5H2,1H3