[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [(1R)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Br)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)O[C@H](C)C(=O)NC2=CC(=CC=C2)Br)C)C

InChI

InChI=1S/C17H18BrNO4/c1-9-10(2)22-11(3)15(9)17(21)23-12(4)16(20)19-14-7-5-6-13(18)8-14/h5-8,12H,1-4H3,(H,19,20)/t12-/m1/s1