2-[2-oxidanyl-3-(2-oxidanylpropylamino)propoxy]benzenecarbonitrile

Systemtic Name: 2-[2-oxidanyl-3-(2-oxidanylpropylamino)propoxy]benzenecarbonitrile Openeye Name: 2-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzonitrile CAS Name: 2-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzonitrile IUPAC Name: 2-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzonitrile Traditional Name: 2-[2-hydroxy-3-(2-hydroxypropylamino)propoxy]benzonitrile Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(COC1=CC=CC=C1C#N)O)O

Isomeric SMILES

CC(CNCC(COC1=CC=CC=C1C#N)O)O

InChI

InChI=1S/C13H18N2O3/c1-10(16)7-15-8-12(17)9-18-13-5-3-2-4-11(13)6-14/h2-5,10,12,15-17H,7-9H2,1H3