4-[[2-bromanyl-3-chloranyl-5-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[2-bromanyl-3-chloranyl-5-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-bromo-4-tert-butoxy-3-chloro-5-methoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[2-bromo-3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[2-bromo-3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-bromo-4-tert-butoxy-3-chloro-5-methoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=C(C(=C1Cl)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC1=C(C=C(C(=C1Cl)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H20BrClN2O4/c1-21(2,3)29-18-15(28-4)11-12(16(22)17(18)23)10-14-19(26)24-25(20(14)27)13-8-6-5-7-9-13/h5-11H,1-4H3,(H,24,26)