2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylidene]propanedinitrile Openeye Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]propanedinitrile CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylene]malononitrile Formula: C21H14N4O2 MolecularWeight: 354.36146

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H14N4O2/c22-12-15(13-23)10-17-14-25(18-4-2-1-3-5-18)24-21(17)16-6-7-19-20(11-16)27-9-8-26-19/h1-7,10-11,14H,8-9H2