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

Systemtic Name: 3-tert-butyl-5-chloranyl-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-(2-cyanoethyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Formula: C11H14ClN3O2 MolecularWeight: 255.70076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)CCC#N

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)CCC#N

InChI

InChI=1S/C11H14ClN3O2/c1-11(2,3)8-7(10(16)17)9(12)15(14-8)6-4-5-13/h4,6H2,1-3H3,(H,16,17)