5-[(4-chlorophenyl)methyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)methyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)methyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(4-chlorophenyl)methyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(4-chlorobenzyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)CC2=CC=C(C=C2)Cl

InChI

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