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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-hydroxyphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-hydroxyanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-hydroxyanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-hydroxyanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(2-hydroxyanilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C24H18N2O5 MolecularWeight: 414.41012

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=CC=CC=C5O)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CNC5=CC=CC=C5O)C3=O

InChI

InChI=1S/C24H18N2O5/c27-20-8-4-3-7-19(20)25-12-18-16-5-1-2-6-17(16)23(28)26(24(18)29)13-15-9-10-21-22(11-15)31-14-30-21/h1-12,25,27H,13-14H2