(4E)-4-[(4-bromophenyl)-oxidanyl-methylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enyl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(4-bromophenyl)-oxidanyl-methylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enyl-pyrrolidine-2,3-dione Openeye Name: (4E)-1-allyl-4-[(4-bromophenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-prop-2-enylpyrrolidine-2,3-dione Traditional Name: (4E)-1-allyl-4-[(4-bromophenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-quinone Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CC=C)OC

InChI

InChI=1S/C22H20BrNO5/c1-4-11-24-19(14-7-10-16(28-2)17(12-14)29-3)18(21(26)22(24)27)20(25)13-5-8-15(23)9-6-13/h4-10,12,19,25H,1,11H2,2-3H3/b20-18+