(4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[oxidanyl-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[hydroxy-(4-propoxyphenyl)methylene]pyrrolidine-2,3-quinone Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=C2C(NC(=O)C2=O)C3=CC(=C(C(=C3)Br)O)OC)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C(=C\2/C(NC(=O)C2=O)C3=CC(=C(C(=C3)Br)O)OC)/O

InChI

InChI=1S/C21H20BrNO6/c1-3-8-29-13-6-4-11(5-7-13)18(24)16-17(23-21(27)20(16)26)12-9-14(22)19(25)15(10-12)28-2/h4-7,9-10,17,24-25H,3,8H2,1-2H3,(H,23,27)/b18-16+