3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-chloranyl-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-chloranyl-2-fluoranyl-benzenecarbonitrile Openeye Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-chloro-2-fluoro-benzonitrile CAS Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-chloro-2-fluorobenzonitrile IUPAC Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-chloro-2-fluorobenzonitrile Traditional Name: 3-[2-(tert-butylamino)-1-hydroxy-ethyl]-5-chloro-2-fluoro-benzonitrile Formula: C13H16ClFN2O MolecularWeight: 270.730343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=C(C(=CC(=C1)Cl)C#N)F)O

Isomeric SMILES

CC(C)(C)NCC(C1=C(C(=CC(=C1)Cl)C#N)F)O

InChI

InChI=1S/C13H16ClFN2O/c1-13(2,3)17-7-11(18)10-5-9(14)4-8(6-16)12(10)15/h4-5,11,17-18H,7H2,1-3H3