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

Systemtic Name: 2-[4-[[3,4-bis(oxidanyl)phenyl]methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(3,4-dihydroxyphenyl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(3,4-dihydroxyphenyl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(3,4-dihydroxyphenyl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-(protocatechuylamino)phenyl]acetonitrile Formula: C15H14N2O2 MolecularWeight: 254.28386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C15H14N2O2/c16-8-7-11-1-4-13(5-2-11)17-10-12-3-6-14(18)15(19)9-12/h1-6,9,17-19H,7,10H2