[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C15H9BrF3N3O5 MolecularWeight: 448.14827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H9BrF3N3O5/c16-9-3-8(5-20-6-9)14(24)27-7-13(23)21-12-2-1-10(22(25)26)4-11(12)15(17,18)19/h1-6H,7H2,(H,21,23)