2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]ethanenitrile

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]ethanenitrile Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]acetonitrile CAS Name: 2-[5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]acetonitrile IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]acetonitrile Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]acetonitrile Formula: C12H8N2O3 MolecularWeight: 228.20352

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)CC#N

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