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

Systemtic Name: 4-[[5-bromanyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(5-bromo-2-tert-butoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(5-bromo-2-tert-butoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H19BrN2O3 MolecularWeight: 415.28046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19BrN2O3/c1-20(2,3)26-17-10-9-14(21)11-13(17)12-16-18(24)22-23(19(16)25)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,22,24)