(4E)-4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-5-(3,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-5-(3,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-5-(3,4-dimethoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: (4E)-4-[1,3-benzodioxol-5-yl(hydroxy)methylene]-5-(3,4-dimethoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C26H22N2O7 MolecularWeight: 474.46208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5)OC

InChI

InChI=1S/C26H22N2O7/c1-32-18-7-5-16(10-20(18)33-2)23-22(24(29)17-6-8-19-21(11-17)35-14-34-19)25(30)26(31)28(23)13-15-4-3-9-27-12-15/h3-12,23,29H,13-14H2,1-2H3/b24-22+