1-[2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]ethyl (2-nitrooxyphenyl) carbonate

Systemtic Name: 1-[2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]ethyl (2-nitrooxyphenyl) carbonate Openeye Name: 1-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]ethyl (2-nitrooxyphenyl) carbonate CAS Name: carbonic acid 1-[2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydroimidazol-1-yl]ethyl (2-nitrooxyphenyl) ester IUPAC Name: 1-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]ethyl (2-nitrooxyphenyl) carbonate Traditional Name: carbonic acid 1-[2-[(5-bromoquinoxalin-6-yl)amino]-2-imidazolin-1-yl]ethyl (2-nitrooxyphenyl) ester Formula: C20H17BrN6O6 MolecularWeight: 517.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN=C1NC2=C(C3=NC=CN=C3C=C2)Br)OC(=O)OC4=CC=CC=C4O[N+](=O)[O-]

Isomeric SMILES

CC(N1CCN=C1NC2=C(C3=NC=CN=C3C=C2)Br)OC(=O)OC4=CC=CC=C4O[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN6O6/c1-12(31-20(28)32-15-4-2-3-5-16(15)33-27(29)30)26-11-10-24-19(26)25-13-6-7-14-18(17(13)21)23-9-8-22-14/h2-9,12H,10-11H2,1H3,(H,24,25)