3-[3-(1,3-benzodioxol-5-yl)-4-methanoyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-4-methanoyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-4-formyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-4-formyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-4-formylpyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-4-formyl-pyrazol-1-yl]propionitrile Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C=O)CCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C=O)CCC#N

InChI

InChI=1S/C14H11N3O3/c15-4-1-5-17-7-11(8-18)14(16-17)10-2-3-12-13(6-10)20-9-19-12/h2-3,6-8H,1,5,9H2