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

Systemtic Name: 5-chloranyl-1-(3-cyanophenyl)-3-ethyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-cyanophenyl)-3-ethyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-cyanophenyl)-3-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-cyanophenyl)-3-ethylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-cyanophenyl)-3-ethyl-pyrazole-4-carboxylic acid Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O2/c1-2-10-11(13(18)19)12(14)17(16-10)9-5-3-4-8(6-9)7-15/h3-6H,2H2,1H3,(H,18,19)