[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-11-12(2)24-17-9-14(5-7-16(17)23-11)21(27)29-13(3)20(26)25-18-10-15(22)6-8-19(18)28-4/h5-10,13H,1-4H3,(H,25,26)/t13-/m1/s1