[(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid [(1R)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H16BrFN2O4 MolecularWeight: 399.211643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C16H16BrFN2O4/c1-4-12-14(8(2)24-20-12)16(22)23-9(3)15(21)19-13-6-5-10(17)7-11(13)18/h5-7,9H,4H2,1-3H3,(H,19,21)/t9-/m1/s1