2-[(4-chlorophenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-5-methyl-pyrazole-3-carboxylic acid Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2O2/c1-8-6-11(12(16)17)15(14-8)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,16,17)