3-[(4E)-3-methyl-5-oxidanylidene-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-3-methyl-5-oxidanylidene-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(2-benzyloxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-5-oxo-4-[(2-phenylmethoxyphenyl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-5-oxo-4-[(2-phenylmethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(2-benzoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H20N2O4/c1-17-22(24(28)27(26-17)21-12-7-11-20(14-21)25(29)30)15-19-10-5-6-13-23(19)31-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,29,30)/b22-15+