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

Systemtic Name: 4-[(4E)-4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(2-benzyloxy-5-bromo-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(2-benzoxy-5-bromo-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C25H19BrN2O4 MolecularWeight: 491.33336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19BrN2O4/c1-16-22(24(29)28(27-16)21-10-7-18(8-11-21)25(30)31)14-19-13-20(26)9-12-23(19)32-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,30,31)/b22-14+