4-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3-ethoxy-4-hydroxy-5-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-ethoxy-4-hydroxy-5-iodophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C17H19IN4O4 MolecularWeight: 470.26163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)I)O

InChI

InChI=1S/C17H19IN4O4/c1-4-26-11-6-9(5-10(18)15(11)23)14(12-7(2)19-21-16(12)24)13-8(3)20-22-17(13)25/h5-6,14,23H,4H2,1-3H3,(H2,19,21,24)(H2,20,22,25)