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

Systemtic Name: 4-[(3-bromanyl-4-butan-2-yloxy-5-methoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-5-methoxy-4-sec-butoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-5-methoxy-4-sec-butoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4/c1-4-13(2)28-19-17(22)11-14(12-18(19)27-3)10-16-20(25)23-24(21(16)26)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,23,25)