3-[4-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-iodanyl-5-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[4-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-iodanyl-5-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[4-[[4-(2-ethoxy-2-oxo-ethoxy)-3-iodo-5-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[4-[[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[4-[[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[4-[4-(2-ethoxy-2-keto-ethoxy)-3-iodo-5-methoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H21IN2O7 MolecularWeight: 564.32651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

InChI

InChI=1S/C23H21IN2O7/c1-4-32-20(27)12-33-21-18(24)9-14(10-19(21)31-3)8-17-13(2)25-26(22(17)28)16-7-5-6-15(11-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)