4-(4-bromophenyl)-2-(3-tert-butyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(3-tert-butyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(3-tert-butyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(3-tert-butyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(3-tert-butyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(3-tert-butyl-5-keto-1-phenyl-2-pyrazolin-4-yl)-4-keto-butyric acid Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)C1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)C1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O4/c1-23(2,3)20-19(21(28)26(25-20)16-7-5-4-6-8-16)17(22(29)30)13-18(27)14-9-11-15(24)12-10-14/h4-12,17,19H,13H2,1-3H3,(H,29,30)