[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-bromo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-methyl-3-pyrazolecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-bromo-1-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-methyl-pyrazole-3-carboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C14H10BrClF3N3O3 MolecularWeight: 440.59971

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)Br

InChI

InChI=1S/C14H10BrClF3N3O3/c1-22-5-8(15)12(21-22)13(24)25-6-11(23)20-10-4-7(14(17,18)19)2-3-9(10)16/h2-5H,6H2,1H3,(H,20,23)