3-[(4E)-5-oxidanylidene-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-5-oxidanylidene-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-5-oxo-4-[(E)-3-phenylprop-2-enylidene]-3-propylpyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-5-keto-4-[(E)-3-phenylprop-2-enylidene]-3-propyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C=C/C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H20N2O3/c1-2-8-20-19(14-6-11-16-9-4-3-5-10-16)21(25)24(23-20)18-13-7-12-17(15-18)22(26)27/h3-7,9-15H,2,8H2,1H3,(H,26,27)/b11-6+,19-14+