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

Systemtic Name: 3-[(4Z)-4-[(3-ethoxy-5-iodanyl-4-propoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(3-ethoxy-5-iodo-4-propoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(3-ethoxy-5-iodo-4-propoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H23IN2O5 MolecularWeight: 534.34359

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OCC

InChI

InChI=1S/C23H23IN2O5/c1-4-9-31-21-19(24)11-15(12-20(21)30-5-2)10-18-14(3)25-26(22(18)27)17-8-6-7-16(13-17)23(28)29/h6-8,10-13H,4-5,9H2,1-3H3,(H,28,29)/b18-10-