4-[(4Z)-4-[[3-ethoxy-5-iodanyl-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 4-[(4Z)-4-[[3-ethoxy-5-iodanyl-4-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 4-[(4Z)-4-[[3-ethoxy-5-iodo-4-(2-oxido-2-oxo-ethoxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 4-[(4Z)-4-[[3-ethoxy-5-iodo-4-(2-oxido-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 4-[(4Z)-4-[[3-ethoxy-5-iodo-4-(2-oxido-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 4-[(4Z)-4-[3-ethoxy-5-iodo-4-(2-keto-2-oxido-ethoxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C22H17IN2O7-2 MolecularWeight: 548.28405

Click to see the large picture

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)/p-2/b16-8-