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

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-(m-tolylmethylene)isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(3-methylbenzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO4/c1-16-5-4-6-17(11-16)12-21-19-7-2-3-8-20(19)24(27)26(25(21)28)14-18-9-10-22-23(13-18)30-15-29-22/h2-13H,14-15H2,1H3/b21-12+