4-(1,3-benzodioxol-5-yl)-2-ethanoyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-ethanoyl-4-oxidanylidene-butanenitrile Openeye Name: 2-acetyl-4-(1,3-benzodioxol-5-yl)-4-oxo-butanenitrile CAS Name: 2-acetyl-4-(1,3-benzodioxol-5-yl)-4-oxobutanenitrile IUPAC Name: 2-acetyl-4-(1,3-benzodioxol-5-yl)-4-oxobutanenitrile Traditional Name: 2-acetyl-4-(1,3-benzodioxol-5-yl)-4-keto-butyronitrile Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)C1=CC2=C(C=C1)OCO2)C#N

Isomeric SMILES

CC(=O)C(CC(=O)C1=CC2=C(C=C1)OCO2)C#N

InChI

InChI=1S/C13H11NO4/c1-8(15)10(6-14)4-11(16)9-2-3-12-13(5-9)18-7-17-12/h2-3,5,10H,4,7H2,1H3