[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H14ClFN4O3 MolecularWeight: 364.758763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN4O3/c1-10-14(16(24)25-9-13(23)20-8-2-7-19)15(17)22(21-10)12-5-3-11(18)4-6-12/h3-6H,2,8-9H2,1H3,(H,20,23)