[(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [(1S)-2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)O[C@@H](C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C21H22N2O5/c1-12-9-10-17(24)14(11-12)19(26)28-13(2)18(25)23-16-8-6-5-7-15(16)22-20(27)21(23,3)4/h5-11,13,24H,1-4H3,(H,22,27)/t13-/m0/s1