[(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1R)-2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16BrFN2O4 MolecularWeight: 411.222343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C17H16BrFN2O4/c1-9(22)11-6-15(21(3)8-11)17(24)25-10(2)16(23)20-14-5-4-12(18)7-13(14)19/h4-8,10H,1-3H3,(H,20,23)/t10-/m1/s1