(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butanenitrile Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyronitrile Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC[C@H](C#N)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C12H13NO2/c1-2-9(8-13)10-3-4-11-12(7-10)15-6-5-14-11/h3-4,7,9H,2,5-6H2,1H3/t9-/m1/s1