(2S)-2-(4-methoxyphenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: (2S)-2-(4-methoxyphenyl)-3-oxidanylidene-pentanenitrile Openeye Name: (2S)-2-(4-methoxyphenyl)-3-oxo-pentanenitrile CAS Name: (2S)-2-(4-methoxyphenyl)-3-oxopentanenitrile IUPAC Name: (2S)-2-(4-methoxyphenyl)-3-oxopentanenitrile Traditional Name: (2S)-3-keto-2-(4-methoxyphenyl)valeronitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-3-12(14)11(8-13)9-4-6-10(15-2)7-5-9/h4-7,11H,3H2,1-2H3/t11-/m1/s1