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

Systemtic Name: [2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2-morpholino-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-keto-2-[2-morpholino-5-(trifluoromethyl)anilino]ethyl] ester Formula: C19H17BrF3N3O4 MolecularWeight: 488.25519

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H17BrF3N3O4/c20-14-7-12(9-24-10-14)18(28)30-11-17(27)25-15-8-13(19(21,22)23)1-2-16(15)26-3-5-29-6-4-26/h1-2,7-10H,3-6,11H2,(H,25,27)