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

Systemtic Name: 2-[4-[[3,4-bis(oxidanyl)phenyl]methylamino]phenoxy]ethanenitrile Openeye Name: 2-[4-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile CAS Name: 2-[4-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile IUPAC Name: 2-[4-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile Traditional Name: 2-[4-(protocatechuylamino)phenoxy]acetonitrile Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC2=CC(=C(C=C2)O)O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1NCC2=CC(=C(C=C2)O)O)OCC#N

InChI

InChI=1S/C15H14N2O3/c16-7-8-20-13-4-2-12(3-5-13)17-10-11-1-6-14(18)15(19)9-11/h1-6,9,17-19H,8,10H2