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

Systemtic Name: [2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl (2-nitrooxyphenyl) carbonate Openeye Name: [2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl (2-nitrooxyphenyl) carbonate CAS Name: carbonic acid [2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydroimidazol-1-yl]methyl (2-nitrooxyphenyl) ester IUPAC Name: [2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl (2-nitrooxyphenyl) carbonate Traditional Name: carbonic acid [2-[(5-bromoquinoxalin-6-yl)amino]-2-imidazolin-1-yl]methyl (2-nitrooxyphenyl) ester Formula: C19H15BrN6O6 MolecularWeight: 503.263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)NC2=C(C3=NC=CN=C3C=C2)Br)COC(=O)OC4=CC=CC=C4O[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=N1)NC2=C(C3=NC=CN=C3C=C2)Br)COC(=O)OC4=CC=CC=C4O[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN6O6/c20-16-12(5-6-13-17(16)22-8-7-21-13)24-18-23-9-10-25(18)11-30-19(27)31-14-3-1-2-4-15(14)32-26(28)29/h1-8H,9-11H2,(H,23,24)