4-[(1R,2S)-2-methyl-1-oxidanyl-3-oxidanylidene-butyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2S)-2-methyl-1-oxidanyl-3-oxidanylidene-butyl]benzenecarbonitrile Openeye Name: 4-[(1R,2S)-1-hydroxy-2-methyl-3-oxo-butyl]benzonitrile CAS Name: 4-[(1R,2S)-1-hydroxy-2-methyl-3-oxobutyl]benzonitrile IUPAC Name: 4-[(1R,2S)-1-hydroxy-2-methyl-3-oxobutyl]benzonitrile Traditional Name: 4-[(1R,2S)-1-hydroxy-3-keto-2-methyl-butyl]benzonitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-8(9(2)14)12(15)11-5-3-10(7-13)4-6-11/h3-6,8,12,15H,1-2H3/t8-,12-/m1/s1