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

Systemtic Name: 4-[[2-bromanyl-3-chloranyl-5-ethoxy-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-ethoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[2-bromo-3-chloro-5-ethoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[2-bromo-3-chloro-5-ethoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-bromo-4-tert-butoxy-3-chloro-5-ethoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H22BrClN2O4 MolecularWeight: 493.77808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)Cl)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)Cl)OC(C)(C)C

InChI

InChI=1S/C22H22BrClN2O4/c1-5-29-16-12-13(17(23)18(24)19(16)30-22(2,3)4)11-15-20(27)25-26(21(15)28)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3,(H,25,27)