(2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(3-oxidanylpropylamino)ethanenitrile

Systemtic Name: (2S)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-(3-oxidanylpropylamino)ethanenitrile Openeye Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(3-hydroxypropylamino)acetonitrile CAS Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(3-hydroxypropylamino)acetonitrile IUPAC Name: (2S)-2-(2-chloro-6-fluorophenyl)-2-(3-hydroxypropylamino)acetonitrile Traditional Name: (2S)-2-(2-chloro-6-fluoro-phenyl)-2-(3-hydroxypropylamino)acetonitrile Formula: C11H12ClFN2O MolecularWeight: 242.677183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(C#N)NCCCO)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)[C@@H](C#N)NCCCO)F

InChI

InChI=1S/C11H12ClFN2O/c12-8-3-1-4-9(13)11(8)10(7-14)15-5-2-6-16/h1,3-4,10,15-16H,2,5-6H2/t10-/m1/s1