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

Systemtic Name: 5-chloranyl-1-(2-cyanoethyl)-3-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(2-cyanoethyl)-3-methyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-cyanoethyl)-3-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-cyanoethyl)-3-methylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(2-cyanoethyl)-3-methyl-pyrazole-4-carboxylic acid Formula: C8H8ClN3O2 MolecularWeight: 213.62102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)Cl)CCC#N

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)Cl)CCC#N

InChI

InChI=1S/C8H8ClN3O2/c1-5-6(8(13)14)7(9)12(11-5)4-2-3-10/h2,4H2,1H3,(H,13,14)