[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C21H21BrN2O5 MolecularWeight: 461.30584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O5/c1-13(29-15-10-8-14(22)9-11-15)19(26)28-12-18(25)24-17-7-5-4-6-16(17)23-20(27)21(24,2)3/h4-11,13H,12H2,1-3H3,(H,23,27)