[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H17ClFN3O3 MolecularWeight: 413.829383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)F)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClFN3O3/c22-14-8-9-17(16(23)10-14)24-20(27)12-29-21(28)19-11-18(13-6-7-13)25-26(19)15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2,(H,24,27)