(4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(2,5-dimethylphenyl)-oxidanyl-methylidene]-1-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione Openeye Name: (4E)-1-(5-acetyl-4-methyl-thiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (4E)-1-(5-acetyl-4-methyl-2-thiazolyl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (4E)-1-(5-acetyl-4-methyl-thiazol-2-yl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-nitrophenyl)pyrrolidine-2,3-quinone Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)C)C)C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)C)C)C4=CC=C(C=C4)[N+](=O)[O-])/O

InChI

InChI=1S/C25H21N3O6S/c1-12-5-6-13(2)18(11-12)21(30)19-20(16-7-9-17(10-8-16)28(33)34)27(24(32)22(19)31)25-26-14(3)23(35-25)15(4)29/h5-11,20,30H,1-4H3/b21-19+