5-chloranyl-3-ethyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-3-ethyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-ethyl-1-(m-tolyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-3-ethyl-1-(3-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-3-ethyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-ethyl-1-(m-tolyl)pyrazole-4-carboxylic acid Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)Cl)C2=CC=CC(=C2)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)Cl)C2=CC=CC(=C2)C

InChI

InChI=1S/C13H13ClN2O2/c1-3-10-11(13(17)18)12(14)16(15-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,17,18)