5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile

CAS Registry Number®

1105191-90-9

CAS Name

5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile

Molecular Formula

C12H8N2O3

Molecular Mass

228.20

Cite this Page

5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1105191-90-9 (retrieved 2024-10-05) (CAS RN: 1105191-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H8N2O3/c13-4-3-9-6-11(17-14-9)8-1-2-10-12(5-8)16-7-15-10/h1-2,5-6H,3,7H2

InChIKey

InChIKey=QACRJTGBJZYMHW-UHFFFAOYSA-N

SMILES

C(C#N)C=1C=C(C=2C=C3C(=CC2)OCO3)ON1

Canonical SMILES

N#CCC1=NOC(=C1)C=2C=CC=3OCOC3C2

Other Names for this Substance

  • 3-Isoxazoleacetonitrile, 5-(1,3-benzodioxol-5-yl)-
  • 5-(1,3-Benzodioxol-5-yl)-3-isoxazoleacetonitrile

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox