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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3C4=CC=CC=C4C(=O)NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3C4=CC=CC=C4C(=O)NC3=O

InChI

InChI=1S/C17H13NO4/c19-16-12-4-2-1-3-11(12)13(17(20)18-16)7-10-5-6-14-15(8-10)22-9-21-14/h1-6,8,13H,7,9H2,(H,18,19,20)