[(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20Cl2FN3O3 MolecularWeight: 416.274103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)Cl)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC(=C(C=C2)F)Cl)Cl

InChI

InChI=1S/C18H20Cl2FN3O3/c1-4-5-8-24-16(20)15(10(2)23-24)18(26)27-11(3)17(25)22-12-6-7-14(21)13(19)9-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,22,25)/t11-/m1/s1