4-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[4-(cyanomethoxy)-3-methoxyphenyl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(cyanomethoxy)-3-methoxy-benzylidene]-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H19N3O5 MolecularWeight: 453.44616

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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)OCC#N

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)OCC#N

InChI

InChI=1S/C26H19N3O5/c1-33-23-16-17(7-12-22(23)34-14-13-27)15-21-24(18-5-3-2-4-6-18)28-29(25(21)30)20-10-8-19(9-11-20)26(31)32/h2-12,15-16H,14H2,1H3,(H,31,32)/b21-15-