2-[4-[1-[(3-iodanylphenyl)amino]ethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-[(3-iodanylphenyl)amino]ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(3-iodoanilino)ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-(3-iodoanilino)ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(3-iodoanilino)ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(3-iodoanilino)ethyl]phenoxy]acetonitrile Formula: C16H15IN2O MolecularWeight: 378.20757

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC#N)NC2=CC(=CC=C2)I

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC#N)NC2=CC(=CC=C2)I

InChI

InChI=1S/C16H15IN2O/c1-12(19-15-4-2-3-14(17)11-15)13-5-7-16(8-6-13)20-10-9-18/h2-8,11-12,19H,10H2,1H3