3-[(4E)-3-methyl-5-oxidanylidene-4-[(2-propan-2-yloxyphenyl)methylidene]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-3-methyl-5-oxidanylidene-4-[(2-propan-2-yloxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(2-isopropoxyphenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-3-methyl-5-oxo-4-[(2-propan-2-yloxyphenyl)methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-3-methyl-5-oxo-4-[(2-propan-2-yloxyphenyl)methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(2-isopropoxybenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=CC=C2OC(C)C)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OC(C)C)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H20N2O4/c1-13(2)27-19-10-5-4-7-15(19)12-18-14(3)22-23(20(18)24)17-9-6-8-16(11-17)21(25)26/h4-13H,1-3H3,(H,25,26)/b18-12+