4-[(2-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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