2-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enylidene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enylidene]isoquinoline-1,3-dione Traditional Name: 4-[(E)-3-phenylprop-2-enylidene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H19NO4 MolecularWeight: 409.43336

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC=CC5=CC=CC=C5)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=C/C=C/C5=CC=CC=C5)C3=O

InChI

InChI=1S/C26H19NO4/c28-25-21-11-5-4-10-20(21)22(12-6-9-18-7-2-1-3-8-18)26(29)27(25)16-19-13-14-23-24(15-19)31-17-30-23/h1-15H,16-17H2/b9-6+,22-12?