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

Systemtic Name: 4-[(4E)-4-[[4-(carboxymethyloxy)-3-ethoxy-5-iodanyl-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[4-(carboxymethyloxy)-3-ethoxy-5-iodo-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[4-(carboxymethyloxy)-3-ethoxy-5-iodophenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[4-(carboxymethyloxy)-3-ethoxy-5-iodophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[4-(carboxymethyloxy)-3-ethoxy-5-iodo-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H19IN2O7 MolecularWeight: 550.29993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)I)OCC(=O)O

InChI

InChI=1S/C22H19IN2O7/c1-3-31-18-10-13(9-17(23)20(18)32-11-19(26)27)8-16-12(2)24-25(21(16)28)15-6-4-14(5-7-15)22(29)30/h4-10H,3,11H2,1-2H3,(H,26,27)(H,29,30)/b16-8+