[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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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=CC(=C3)C#N)N=C1C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3/c1-12-13(2)24-19-10-16(7-8-18(19)23-12)21(27)28-14(3)20(26)25-17-6-4-5-15(9-17)11-22/h4-10,14H,1-3H3,(H,25,26)/t14-/m1/s1