[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C17H16ClFN4O3 MolecularWeight: 378.785343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F)Cl)C

InChI

InChI=1S/C17H16ClFN4O3/c1-11-15(16(18)22(2)21-11)17(25)26-10-14(24)23(9-5-8-20)13-7-4-3-6-12(13)19/h3-4,6-7H,5,9-10H2,1-2H3