3,5-bis(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 3,5-bis(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 3,5-bis(1,3-benzodioxol-5-ylmethylene)-4-oxo-1-phenyl-cyclohexanecarbonitrile CAS Name: 3,5-bis(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 3,5-bis(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-keto-1-phenyl-3,5-dipiperonylidene-cyclohexanecarbonitrile Formula: C29H21NO5 MolecularWeight: 463.48074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)CC1(C#N)C6=CC=CC=C6

Isomeric SMILES

C1C(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)CC1(C#N)C6=CC=CC=C6

InChI

InChI=1S/C29H21NO5/c30-16-29(23-4-2-1-3-5-23)14-21(10-19-6-8-24-26(12-19)34-17-32-24)28(31)22(15-29)11-20-7-9-25-27(13-20)35-18-33-25/h1-13H,14-15,17-18H2