2-[3-[1-[2,4-bis(oxidanyl)phenyl]ethylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[1-[2,4-bis(oxidanyl)phenyl]ethylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[1-(2,4-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile CAS Name: 2-[3-[1-(2,4-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[1-(2,4-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[1-(2,4-dihydroxyphenyl)ethylamino]phenoxy]acetonitrile Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c1-11(15-6-5-13(19)10-16(15)20)18-12-3-2-4-14(9-12)21-8-7-17/h2-6,9-11,18-20H,8H2,1H3