[1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C20H15ClF3N3O3 MolecularWeight: 437.79961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H15ClF3N3O3/c1-12(18(28)26-14-7-8-17(21)16(9-14)20(22,23)24)30-19(29)13-10-25-27(11-13)15-5-3-2-4-6-15/h2-12H,1H3,(H,26,28)