(2-azanyl-2-oxidanylidene-ethyl) 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-ethyl) ester Formula: C13H11ClFN3O3 MolecularWeight: 311.696143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClFN3O3/c1-7-11(13(20)21-6-10(16)19)12(14)18(17-7)9-4-2-8(15)3-5-9/h2-5H,6H2,1H3,(H2,16,19)