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

Systemtic Name: 4-[(5-bromanyl-3-methoxy-2-prop-2-enoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-allyloxy-5-bromo-3-methoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(5-bromo-3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(5-bromo-3-methoxy-2-prop-2-enoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-allyloxy-5-bromo-3-methoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4/c1-3-9-27-18-13(10-14(21)12-17(18)26-2)11-16-19(24)22-23(20(16)25)15-7-5-4-6-8-15/h3-8,10-12H,1,9H2,2H3,(H,22,24)