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

Systemtic Name: 4-[(2-bromanyl-4-butan-2-yloxy-3-chloranyl-5-methoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-bromo-3-chloro-5-methoxy-4-sec-butoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(2-bromo-4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(2-bromo-4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-bromo-3-chloro-5-methoxy-4-sec-butoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrClN2O4/c1-4-12(2)29-19-16(28-3)11-13(17(22)18(19)23)10-15-20(26)24-25(21(15)27)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,24,26)