2-[2-ethoxy-6-iodanyl-4-(propylaminomethyl)phenoxy]ethanenitrile

Systemtic Name: 2-[2-ethoxy-6-iodanyl-4-(propylaminomethyl)phenoxy]ethanenitrile Openeye Name: 2-[2-ethoxy-6-iodo-4-(propylaminomethyl)phenoxy]acetonitrile CAS Name: 2-[2-ethoxy-6-iodo-4-(propylaminomethyl)phenoxy]acetonitrile IUPAC Name: 2-[2-ethoxy-6-iodo-4-(propylaminomethyl)phenoxy]acetonitrile Traditional Name: 2-[2-ethoxy-6-iodo-4-(propylaminomethyl)phenoxy]acetonitrile Formula: C14H19IN2O2 MolecularWeight: 374.21733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CC(=C(C(=C1)I)OCC#N)OCC

Isomeric SMILES

CCCNCC1=CC(=C(C(=C1)I)OCC#N)OCC

InChI

InChI=1S/C14H19IN2O2/c1-3-6-17-10-11-8-12(15)14(19-7-5-16)13(9-11)18-4-2/h8-9,17H,3-4,6-7,10H2,1-2H3