(4E)-4-[(4-bromophenyl)-oxidanyl-methylidene]-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-4-[(4-bromophenyl)-oxidanyl-methylidene]-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (4E)-4-[(4-bromophenyl)-hydroxy-methylene]-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (4E)-4-[(4-bromophenyl)-hydroxy-methylene]-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C27H21BrN4O4 MolecularWeight: 545.38404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(=C(C4=CC=C(C=C4)Br)O)C(=O)C3=O)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(/C(=C(/C4=CC=C(C=C4)Br)\O)/C(=O)C3=O)C5=CN=CC=C5

InChI

InChI=1S/C27H21BrN4O4/c1-16-22(26(35)32(30(16)2)20-8-4-3-5-9-20)31-23(18-7-6-14-29-15-18)21(25(34)27(31)36)24(33)17-10-12-19(28)13-11-17/h3-15,23,33H,1-2H3/b24-21+