3-cyanopropyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: 3-cyanopropyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: 3-cyanopropyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid 3-cyanopropyl ester Formula: C15H13ClFN3O2 MolecularWeight: 321.734023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCC#N)Cl)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCC#N)Cl)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H13ClFN3O2/c1-10-13(15(21)22-9-3-2-8-18)14(16)20(19-10)12-6-4-11(17)5-7-12/h4-7H,2-3,9H2,1H3