2-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylfuran-3-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylfuran-3-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-3-furyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-3-furanyl)-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylfuran-3-yl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-3-furyl)-3-keto-propionitrile Formula: C16H13NO4 MolecularWeight: 283.27872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)C(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13NO4/c1-9-5-12(10(2)21-9)16(18)13(7-17)11-3-4-14-15(6-11)20-8-19-14/h3-6,13H,8H2,1-2H3