[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Br)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)Br)N=C1C

InChI

InChI=1S/C20H18BrN3O3/c1-11-12(2)23-18-10-14(4-9-17(18)22-11)20(26)27-13(3)19(25)24-16-7-5-15(21)6-8-16/h4-10,13H,1-3H3,(H,24,25)/t13-/m0/s1