(4Z)-4-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: (4Z)-4-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4Z)-4-[(3-ethoxy-5-iodo-4-propoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4Z)-4-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4Z)-4-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4Z)-4-(3-ethoxy-5-iodo-4-propoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H21IN2O4 MolecularWeight: 492.30691

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H21IN2O4/c1-3-10-28-19-17(22)12-14(13-18(19)27-4-2)11-16-20(25)23-24(21(16)26)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,25)/b16-11-