(2S)-2-(4-bromophenyl)-5-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: (2S)-2-(4-bromophenyl)-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: (2S)-2-(4-bromophenyl)-5-methyl-3-oxo-hexanenitrile CAS Name: (2S)-2-(4-bromophenyl)-5-methyl-3-oxohexanenitrile IUPAC Name: (2S)-2-(4-bromophenyl)-5-methyl-3-oxohexanenitrile Traditional Name: (2S)-2-(4-bromophenyl)-3-keto-5-methyl-hexanenitrile Formula: C13H14BrNO MolecularWeight: 280.16036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C#N)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO/c1-9(2)7-13(16)12(8-15)10-3-5-11(14)6-4-10/h3-6,9,12H,7H2,1-2H3/t12-/m1/s1