5-chloranyl-2-[2-oxidanyl-3-(1-oxidanylpropan-2-ylamino)propoxy]benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-[2-oxidanyl-3-(1-oxidanylpropan-2-ylamino)propoxy]benzenecarbonitrile Openeye Name: 5-chloro-2-[2-hydroxy-3-[(2-hydroxy-1-methyl-ethyl)amino]propoxy]benzonitrile CAS Name: 5-chloro-2-[2-hydroxy-3-(1-hydroxypropan-2-ylamino)propoxy]benzonitrile IUPAC Name: 5-chloro-2-[2-hydroxy-3-(1-hydroxypropan-2-ylamino)propoxy]benzonitrile Traditional Name: 5-chloro-2-[2-hydroxy-3-[(2-hydroxy-1-methyl-ethyl)amino]propoxy]benzonitrile Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NCC(COC1=C(C=C(C=C1)Cl)C#N)O

Isomeric SMILES

CC(CO)NCC(COC1=C(C=C(C=C1)Cl)C#N)O

InChI

InChI=1S/C13H17ClN2O3/c1-9(7-17)16-6-12(18)8-19-13-3-2-11(14)4-10(13)5-15/h2-4,9,12,16-18H,6-8H2,1H3