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(2S)-2-(1,3-benzodioxol-5-yl)-2-(prop-2-enylamino)ethanenitrile

(2S)-2-(1,3-benzodioxol-5-yl)-2-(prop-2-enylamino)ethanenitrile

Systemtic Name:(2S)-2-(1,3-benzodioxol-5-yl)-2-(prop-2-enylamino)ethanenitrile
Openeye Name:(2S)-2-(allylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile
CAS Name:(2S)-2-(1,3-benzodioxol-5-yl)-2-(prop-2-enylamino)acetonitrile
IUPAC Name:(2S)-2-(1,3-benzodioxol-5-yl)-2-(prop-2-enylamino)acetonitrile
Traditional Name:(2S)-2-(allylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile
Formula: C12H12N2O2
MolecularWeight: 216.23588
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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(C#N)C1=CC2=C(C=C1)OCO2


Isomeric SMILES

C=CCN[C@H](C#N)C1=CC2=C(C=C1)OCO2


InChI

InChI=1S/C12H12N2O2/c1-2-5-14-10(7-13)9-3-4-11-12(6-9)16-8-15-11/h2-4,6,10,14H,1,5,8H2/t10-/m1/s1


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