3-(4-ethoxy-2-methyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(4-ethoxy-2-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-ethoxy-2-methyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-ethoxy-2-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)O)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)O)C

InChI

InChI=1S/C13H14N2O3/c1-3-18-9-4-5-10(8(2)6-9)11-7-12(13(16)17)15-14-11/h4-7H,3H2,1-2H3,(H,14,15)(H,16,17)