3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-chloranyl-benzenecarbonitrile Openeye Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-chloro-benzonitrile CAS Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-2-chlorobenzonitrile IUPAC Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-2-chlorobenzonitrile Traditional Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-chloro-benzonitrile Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC=CC(=C1Cl)C#N)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC=CC(=C1Cl)C#N)O

InChI

InChI=1S/C13H17ClN2O/c1-13(2,3)16-8-11(17)10-6-4-5-9(7-15)12(10)14/h4-6,11,16-17H,8H2,1-3H3