3-[(4Z)-4-[[2-(cyanomethoxy)phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[[2-(cyanomethoxy)phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[2-(cyanomethoxy)phenyl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[2-(cyanomethoxy)phenyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[2-(cyanomethoxy)phenyl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[2-(cyanomethoxy)benzylidene]-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=CC=CC=C3OCC#N)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C\2=NN(C(=O)/C2=C\C3=CC=CC=C3OCC#N)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H17N3O4/c26-13-14-32-22-12-5-4-9-18(22)16-21-23(17-7-2-1-3-8-17)27-28(24(21)29)20-11-6-10-19(15-20)25(30)31/h1-12,15-16H,14H2,(H,30,31)/b21-16-