4-[(4E)-4-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-allyloxy-3-iodo-5-methoxy-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-allyloxy-3-iodo-5-methoxy-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C27H21IN2O5 MolecularWeight: 580.37051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)I)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)I)OCC=C

InChI

InChI=1S/C27H21IN2O5/c1-3-13-35-25-22(28)15-17(16-23(25)34-2)14-21-24(18-7-5-4-6-8-18)29-30(26(21)31)20-11-9-19(10-12-20)27(32)33/h3-12,14-16H,1,13H2,2H3,(H,32,33)/b21-14+