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

Systemtic Name: 4-[[3-bromanyl-5-ethoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-4-tert-butoxy-5-ethoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-bromo-5-ethoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-bromo-5-ethoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-4-tert-butoxy-5-ethoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O4/c1-5-28-18-13-14(12-17(23)19(18)29-22(2,3)4)11-16-20(26)24-25(21(16)27)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3,(H,24,26)