(2S)-2-(4-bromanyl-2,5-dimethyl-phenoxy)propanenitrile

Systemtic Name: (2S)-2-(4-bromanyl-2,5-dimethyl-phenoxy)propanenitrile Openeye Name: (2S)-2-(4-bromo-2,5-dimethyl-phenoxy)propanenitrile CAS Name: (2S)-2-(4-bromo-2,5-dimethylphenoxy)propanenitrile IUPAC Name: (2S)-2-(4-bromo-2,5-dimethylphenoxy)propanenitrile Traditional Name: (2S)-2-(4-bromo-2,5-dimethyl-phenoxy)propionitrile Formula: C11H12BrNO MolecularWeight: 254.12308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)OC(C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)O[C@@H](C)C#N

InChI

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