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

Systemtic Name: [2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl 4-nitrooxybutyl carbonate Openeye Name: [2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl 4-nitrooxybutyl carbonate CAS Name: carbonic acid [2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydroimidazol-1-yl]methyl 4-nitrooxybutyl ester IUPAC Name: [2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]methyl 4-nitrooxybutyl carbonate Traditional Name: carbonic acid [2-[(5-bromoquinoxalin-6-yl)amino]-2-imidazolin-1-yl]methyl 4-nitrooxybutyl ester Formula: C17H19BrN6O6 MolecularWeight: 483.27336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN6O6/c18-14-12(3-4-13-15(14)20-6-5-19-13)22-16-21-7-8-23(16)11-29-17(25)28-9-1-2-10-30-24(26)27/h3-6H,1-2,7-11H2,(H,21,22)