[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]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] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC(=NO3)C4=CC=CC=N4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC(=NO3)C4=CC=CC=N4)C

InChI

InChI=1S/C22H21N5O5/c1-22(2)21(30)24-14-7-3-4-9-16(14)27(22)18(28)13-31-19(29)11-10-17-25-20(26-32-17)15-8-5-6-12-23-15/h3-9,12H,10-11,13H2,1-2H3,(H,24,30)