[(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19N3O4/c1-13(28-19(26)15-8-6-7-14(11-15)12-22)18(25)24-17-10-5-4-9-16(17)23-20(27)21(24,2)3/h4-11,13H,1-3H3,(H,23,27)/t13-/m1/s1