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

Systemtic Name: 4-[[3-bromanyl-5-chloranyl-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-4-tert-butoxy-5-chloro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-bromo-5-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-bromo-5-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-4-tert-butoxy-5-chloro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18BrClN2O3/c1-20(2,3)27-17-15(21)10-12(11-16(17)22)9-14-18(25)23-24(19(14)26)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,23,25)