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

Systemtic Name: 3-[(4Z)-4-[[5-bromanyl-2-(cyanomethoxy)phenyl]methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[5-bromo-2-(cyanomethoxy)phenyl]methylene]-5-oxo-3-phenyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[5-bromo-2-(cyanomethoxy)phenyl]methylidene]-5-oxo-3-phenyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[5-bromo-2-(cyanomethoxy)phenyl]methylidene]-5-oxo-3-phenylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[5-bromo-2-(cyanomethoxy)benzylidene]-5-keto-3-phenyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H16BrN3O4 MolecularWeight: 502.31624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=C(C=CC(=C3)Br)OCC#N)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H16BrN3O4/c26-19-9-10-22(33-12-11-27)18(13-19)15-21-23(16-5-2-1-3-6-16)28-29(24(21)30)20-8-4-7-17(14-20)25(31)32/h1-10,13-15H,12H2,(H,31,32)/b21-15-