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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)O

InChI

InChI=1S/C17H13BrN2O4/c1-24-14-9-10(8-13(18)15(14)21)7-12-16(22)19-20(17(12)23)11-5-3-2-4-6-11/h2-9,21H,1H3,(H,19,22)