(2S)-2-(3,4-dimethoxyphenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-3-oxo-butanenitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-3-oxobutanenitrile Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-3-keto-butyronitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-8(14)10(7-13)9-4-5-11(15-2)12(6-9)16-3/h4-6,10H,1-3H3/t10-/m0/s1