2-[4-[1-[(2-chloranyl-4-iodanyl-phenyl)amino]ethyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[1-[(2-chloranyl-4-iodanyl-phenyl)amino]ethyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[1-(2-chloro-4-iodo-anilino)ethyl]phenoxy]acetonitrile CAS Name: 2-[4-[1-(2-chloro-4-iodoanilino)ethyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[1-(2-chloro-4-iodoanilino)ethyl]phenoxy]acetonitrile Traditional Name: 2-[4-[1-(2-chloro-4-iodo-anilino)ethyl]phenoxy]acetonitrile Formula: C16H14ClIN2O MolecularWeight: 412.65263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClIN2O/c1-11(20-16-7-4-13(18)10-15(16)17)12-2-5-14(6-3-12)21-9-8-19/h2-7,10-11,20H,9H2,1H3