[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4)N=C1C

InChI

InChI=1S/C21H19N3O5/c1-11-12(2)23-17-8-14(4-6-16(17)22-11)21(26)29-13(3)20(25)24-15-5-7-18-19(9-15)28-10-27-18/h4-9,13H,10H2,1-3H3,(H,24,25)/t13-/m1/s1