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

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(2-bromobenzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C24H16BrNO4 MolecularWeight: 462.29214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C(=CC5=CC=CC=C5Br)C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4/C(=C\C5=CC=CC=C5Br)/C3=O

InChI

InChI=1S/C24H16BrNO4/c25-20-8-4-1-5-16(20)12-19-17-6-2-3-7-18(17)23(27)26(24(19)28)13-15-9-10-21-22(11-15)30-14-29-21/h1-12H,13-14H2/b19-12+