2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-piperonyl-4H-isoquinoline-1,3-quinone Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13NO4/c19-16-8-12-3-1-2-4-13(12)17(20)18(16)9-11-5-6-14-15(7-11)22-10-21-14/h1-7H,8-10H2