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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-ethoxyphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-ethoxyanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-ethoxyanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[(2-ethoxyanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 4-(o-phenetidinomethylene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N2O5/c1-2-31-22-10-6-5-9-21(22)27-14-20-18-7-3-4-8-19(18)25(29)28(26(20)30)15-17-11-12-23-24(13-17)33-16-32-23/h3-14,27H,2,15-16H2,1H3