[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C16H9BrF6N2O3 MolecularWeight: 471.148679

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)NC(=O)COC(=O)C2=CC(=CN=C2)Br)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)NC(=O)COC(=O)C2=CC(=CN=C2)Br)C(F)(F)F

InChI

InChI=1S/C16H9BrF6N2O3/c17-11-1-8(5-24-6-11)14(27)28-7-13(26)25-12-3-9(15(18,19)20)2-10(4-12)16(21,22)23/h1-6H,7H2,(H,25,26)