[1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [1-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C16H11BrClF3N2O3 MolecularWeight: 451.62235

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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=CC(=CN=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrClF3N2O3/c1-8(26-15(25)9-4-10(17)7-22-6-9)14(24)23-11-2-3-13(18)12(5-11)16(19,20)21/h2-8H,1H3,(H,23,24)