4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione Openeye Name: 4-[(1,3-benzodioxol-5-ylamino)methylene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione CAS Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione IUPAC Name: 4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,3-benzodioxol-5-ylmethyl)isoquinoline-1,3-dione Traditional Name: 4-[(1,3-benzodioxol-5-ylamino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H18N2O6 MolecularWeight: 442.42022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CNC5=CC6=C(C=C5)OCO6)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CNC5=CC6=C(C=C5)OCO6)C3=O

InChI

InChI=1S/C25H18N2O6/c28-24-18-4-2-1-3-17(18)19(11-26-16-6-8-21-23(10-16)33-14-31-21)25(29)27(24)12-15-5-7-20-22(9-15)32-13-30-20/h1-11,26H,12-14H2