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

Systemtic Name: 3-[(4E)-4-[(3-ethoxy-5-iodanyl-4-propan-2-yloxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(3-ethoxy-5-iodo-4-isopropoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(3-ethoxy-5-iodo-4-isopropoxy-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:

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

Isomeric SMILES

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

InChI

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