1-(2-carboxyphenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-carboxyphenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-carboxyphenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-carboxyphenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-carboxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(2-carboxyphenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2C(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2C(=O)O)C)C(=O)O

InChI

InChI=1S/C13H12N2O4/c1-7-11(13(18)19)8(2)15(14-7)10-6-4-3-5-9(10)12(16)17/h3-6H,1-2H3,(H,16,17)(H,18,19)