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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(3-chloranyl-4-methoxy-phenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-4-methoxy-anilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-4-methoxyanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-chloro-4-methoxyanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-[(3-chloro-4-methoxy-anilino)methylene]-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H19ClN2O5 MolecularWeight: 462.88176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H19ClN2O5/c1-31-21-9-7-16(11-20(21)26)27-12-19-17-4-2-3-5-18(17)24(29)28(25(19)30)13-15-6-8-22-23(10-15)33-14-32-22/h2-12,27H,13-14H2,1H3