1-(3-chlorophenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chlorophenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chlorophenyl)-5-ethyl-3-hex-3-enyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chlorophenyl)-5-ethyl-3-hex-3-enylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chlorophenyl)-5-ethyl-3-hex-3-enyl-pyrazole-4-carboxylic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCC1=NN(C(=C1C(=O)O)CC)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCC=CCCC1=NN(C(=C1C(=O)O)CC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-3-5-6-7-11-15-17(18(22)23)16(4-2)21(20-15)14-10-8-9-13(19)12-14/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,23)