3-[2-[4-azanyl-2,6-bis(iodanyl)phenoxy]ethyl-ethyl-amino]propanenitrile

Systemtic Name: 3-[2-[4-azanyl-2,6-bis(iodanyl)phenoxy]ethyl-ethyl-amino]propanenitrile Openeye Name: 3-[2-(4-amino-2,6-diiodo-phenoxy)ethyl-ethyl-amino]propanenitrile CAS Name: 3-[2-(4-amino-2,6-diiodophenoxy)ethyl-ethylamino]propanenitrile IUPAC Name: 3-[2-(4-amino-2,6-diiodophenoxy)ethyl-ethylamino]propanenitrile Traditional Name: 3-[2-(4-amino-2,6-diiodo-phenoxy)ethyl-ethyl-amino]propionitrile Formula: C13H17I2N3O MolecularWeight: 485.10252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)CCOC1=C(C=C(C=C1I)N)I

Isomeric SMILES

CCN(CCC#N)CCOC1=C(C=C(C=C1I)N)I

InChI

InChI=1S/C13H17I2N3O/c1-2-18(5-3-4-16)6-7-19-13-11(14)8-10(17)9-12(13)15/h8-9H,2-3,5-7,17H2,1H3