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

Systemtic Name: 4-[(2-bromanyl-4-butan-2-yloxy-3-chloranyl-5-ethoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-bromo-3-chloro-5-ethoxy-4-sec-butoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(2-bromo-4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(2-bromo-4-butan-2-yloxy-3-chloro-5-ethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-bromo-3-chloro-5-ethoxy-4-sec-butoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H22BrClN2O4 MolecularWeight: 493.77808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C(=C1Cl)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C(=C1Cl)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC

InChI

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