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

Systemtic Name: 2,4-bis(1,3-benzodioxol-5-yl)-4-oxidanylidene-butanenitrile Openeye Name: 2,4-bis(1,3-benzodioxol-5-yl)-4-oxo-butanenitrile CAS Name: 2,4-bis(1,3-benzodioxol-5-yl)-4-oxobutanenitrile IUPAC Name: 2,4-bis(1,3-benzodioxol-5-yl)-4-oxobutanenitrile Traditional Name: 2,4-bis(1,3-benzodioxol-5-yl)-4-keto-butyronitrile Formula: C18H13NO5 MolecularWeight: 323.29952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C18H13NO5/c19-8-13(11-1-3-15-17(6-11)23-9-21-15)5-14(20)12-2-4-16-18(7-12)24-10-22-16/h1-4,6-7,13H,5,9-10H2