5-chloranyl-3-ethyl-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-3-ethyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-3-ethyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-3-ethyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-3-ethyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-3-ethyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C12H11ClN2O2 MolecularWeight: 250.68094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O2/c1-2-9-10(12(16)17)11(13)15(14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,16,17)