(2S)-2-(2-bromanyl-4,6-dimethyl-phenoxy)propanenitrile

Systemtic Name: (2S)-2-(2-bromanyl-4,6-dimethyl-phenoxy)propanenitrile Openeye Name: (2S)-2-(2-bromo-4,6-dimethyl-phenoxy)propanenitrile CAS Name: (2S)-2-(2-bromo-4,6-dimethylphenoxy)propanenitrile IUPAC Name: (2S)-2-(2-bromo-4,6-dimethylphenoxy)propanenitrile Traditional Name: (2S)-2-(2-bromo-4,6-dimethyl-phenoxy)propionitrile Formula: C11H12BrNO MolecularWeight: 254.12308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OC(C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)O[C@@H](C)C#N)C

InChI

InChI=1S/C11H12BrNO/c1-7-4-8(2)11(10(12)5-7)14-9(3)6-13/h4-5,9H,1-3H3/t9-/m0/s1