5-(1,3-benzodioxol-5-yl)-5-oxidanyl-4-oxidanylidene-pentanenitrile

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-5-oxidanyl-4-oxidanylidene-pentanenitrile Openeye Name: 5-(1,3-benzodioxol-5-yl)-5-hydroxy-4-oxo-pentanenitrile CAS Name: 5-(1,3-benzodioxol-5-yl)-5-hydroxy-4-oxopentanenitrile IUPAC Name: 5-(1,3-benzodioxol-5-yl)-5-hydroxy-4-oxopentanenitrile Traditional Name: 5-(1,3-benzodioxol-5-yl)-5-hydroxy-4-keto-valeronitrile Formula: C12H11NO4 MolecularWeight: 233.22004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)CCC#N)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)CCC#N)O

InChI

InChI=1S/C12H11NO4/c13-5-1-2-9(14)12(15)8-3-4-10-11(6-8)17-7-16-10/h3-4,6,12,15H,1-2,7H2