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

Systemtic Name: 5-chloranyl-1-(3-cyanophenyl)-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-chloro-1-(3-cyanophenyl)-3-propyl-pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(3-cyanophenyl)-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-chloro-1-(3-cyanophenyl)-3-propylpyrazole-4-carboxylic acid Traditional Name: 5-chloro-1-(3-cyanophenyl)-3-propyl-pyrazole-4-carboxylic acid Formula: C14H12ClN3O2 MolecularWeight: 289.71698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)Cl)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)Cl)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H12ClN3O2/c1-2-4-11-12(14(19)20)13(15)18(17-11)10-6-3-5-9(7-10)8-16/h3,5-7H,2,4H2,1H3,(H,19,20)