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

Systemtic Name: 5-chloranyl-1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(2-cyanoethyl)-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2C(=O)O)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2C(=O)O)Cl)CCC#N

InChI

InChI=1S/C13H10ClN3O2/c14-12-10(13(18)19)11(9-5-2-1-3-6-9)16-17(12)8-4-7-15/h1-3,5-6H,4,8H2,(H,18,19)