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

Systemtic Name: 3-[(4E)-4-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(3-bromo-4-butoxy-5-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(3-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(3-bromo-4-butoxy-5-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C23H23BrN2O5 MolecularWeight: 487.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC

InChI

InChI=1S/C23H23BrN2O5/c1-4-5-9-31-21-19(24)11-15(12-20(21)30-3)10-18-14(2)25-26(22(18)27)17-8-6-7-16(13-17)23(28)29/h6-8,10-13H,4-5,9H2,1-3H3,(H,28,29)/b18-10+