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

Systemtic Name: [(2R)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [(1R)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [(1R)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NOC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN2O4/c1-8-7-12(21-17-8)14(19)20-9(2)13(18)16-11-5-3-10(15)4-6-11/h3-7,9H,1-2H3,(H,16,18)/t9-/m1/s1