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

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)methylidene]pyrazolidine-3,5-dione Openeye Name: 1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)methylene]pyrazolidine-3,5-dione CAS Name: 1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-3,5-dione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]pyrazolidine-3,5-dione Traditional Name: 1-(3,4-dimethylphenyl)-4-(3-ethoxy-4-hydroxy-5-iodo-benzylidene)pyrazolidine-3,5-quinone Formula: C20H19IN2O4 MolecularWeight: 478.28033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)C)C)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)C)C)I)O

InChI

InChI=1S/C20H19IN2O4/c1-4-27-17-10-13(9-16(21)18(17)24)8-15-19(25)22-23(20(15)26)14-6-5-11(2)12(3)7-14/h5-10,24H,4H2,1-3H3,(H,22,25)