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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-methoxyphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxyanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(o-anisidinomethylene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O5/c1-30-21-9-5-4-8-20(21)26-13-19-17-6-2-3-7-18(17)24(28)27(25(19)29)14-16-10-11-22-23(12-16)32-15-31-22/h2-13,26H,14-15H2,1H3