(4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]-1-phenethyl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[oxidanyl(pyridin-4-yl)methylidene]-1-phenethyl-pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-phenethyl-pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenethylpyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenethylpyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy(4-pyridyl)methylene]-1-phenethyl-pyrrolidine-2,3-quinone Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(C3=CC=NC=C3)O)C(=O)C(=O)N2CCC4=CC=CC=C4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2/C(=C(/C3=CC=NC=C3)\O)/C(=O)C(=O)N2CCC4=CC=CC=C4)Br)O

InChI

InChI=1S/C25H21BrN2O5/c1-33-19-14-17(13-18(26)23(19)30)21-20(22(29)16-7-10-27-11-8-16)24(31)25(32)28(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,13-14,21,29-30H,9,12H2,1H3/b22-20+