2-[3,5-dimethyl-4-(2-oxidanylphenoxy)pyrazol-1-yl]benzoic acid hydrochloride

Systemtic Name: 2-[3,5-dimethyl-4-(2-oxidanylphenoxy)pyrazol-1-yl]benzoic acid hydrochloride Openeye Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethyl-pyrazol-1-yl]benzoic acid hydrochloride CAS Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethyl-1-pyrazolyl]benzoic acid hydrochloride IUPAC Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethylpyrazol-1-yl]benzoic acid hydrochloride Traditional Name: 2-[4-(2-hydroxyphenoxy)-3,5-dimethyl-pyrazol-1-yl]benzoic acid hydrochloride Formula: C18H17ClN2O4 MolecularWeight: 360.79158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2C(=O)O)C)OC3=CC=CC=C3O.Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2C(=O)O)C)OC3=CC=CC=C3O.Cl

InChI

InChI=1S/C18H16N2O4.ClH/c1-11-17(24-16-10-6-5-9-15(16)21)12(2)20(19-11)14-8-4-3-7-13(14)18(22)23;/h3-10,21H,1-2H3,(H,22,23);1H