3-[(4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(4-allyloxy-2-bromo-5-ethoxy-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(4-allyloxy-2-bromo-5-ethoxy-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C28H23BrN2O5 MolecularWeight: 547.39662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)Br)OCC=C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)/C=C\2/C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4)Br)OCC=C

InChI

InChI=1S/C28H23BrN2O5/c1-3-13-36-25-17-23(29)20(16-24(25)35-4-2)15-22-26(18-9-6-5-7-10-18)30-31(27(22)32)21-12-8-11-19(14-21)28(33)34/h3,5-12,14-17H,1,4,13H2,2H3,(H,33,34)/b22-15-