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

Systemtic Name: 4-[(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(5-bromo-2-hydroxy-3-methoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(5-bromo-2-hydroxy-3-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)Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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