5-chloranyl-1-(2-cyanoethyl)-3-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(2-cyanoethyl)-3-ethyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(2-cyanoethyl)-3-ethyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-cyanoethyl)-3-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-cyanoethyl)-3-ethylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(2-cyanoethyl)-3-ethyl-pyrazole-4-carboxylic acid Formula: C9H10ClN3O2 MolecularWeight: 227.6476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)Cl)CCC#N

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)Cl)CCC#N

InChI

InChI=1S/C9H10ClN3O2/c1-2-6-7(9(14)15)8(10)13(12-6)5-3-4-11/h2-3,5H2,1H3,(H,14,15)