2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(3-chloro-5-ethoxy-4-hydroxy-benzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H20ClNO6 MolecularWeight: 477.8931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)Cl)O

InChI

InChI=1S/C26H20ClNO6/c1-2-32-23-12-16(10-20(27)24(23)29)9-19-17-5-3-4-6-18(17)25(30)28(26(19)31)13-15-7-8-21-22(11-15)34-14-33-21/h3-12,29H,2,13-14H2,1H3