1-(3-chloranyl-4-methyl-phenyl)-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-methyl-phenyl)-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-methylphenyl)-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-methylphenyl)-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-methyl-pyrazole-4-carboxylic acid Formula: C12H11ClN2O2 MolecularWeight: 250.68094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C=N2)C(=O)O)C)Cl

InChI

InChI=1S/C12H11ClN2O2/c1-7-3-4-9(5-11(7)13)15-8(2)10(6-14-15)12(16)17/h3-6H,1-2H3,(H,16,17)