2-[[3-(2-azanylphenoxy)-2-oxidanyl-propyl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[3-(2-azanylphenoxy)-2-oxidanyl-propyl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[3-(2-aminophenoxy)-2-hydroxy-propyl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[3-(2-aminophenoxy)-2-hydroxypropyl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[3-(2-aminophenoxy)-2-hydroxy-propyl]-(cyanomethyl)amino]acetonitrile Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)OCC(CN(CC#N)CC#N)O

Isomeric SMILES

C1=CC=C(C(=C1)N)OCC(CN(CC#N)CC#N)O

InChI

InChI=1S/C13H16N4O2/c14-5-7-17(8-6-15)9-11(18)10-19-13-4-2-1-3-12(13)16/h1-4,11,18H,7-10,16H2