[5-[2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-5-oxidanylidene-pentyl] nitrate

Systemtic Name: [5-[2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-5-oxidanylidene-pentyl] nitrate Openeye Name: [5-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-5-oxo-pentyl] nitrate CAS Name: nitric acid [5-[2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydroimidazol-1-yl]-5-oxopentyl] ester IUPAC Name: [5-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-5-oxopentyl] nitrate Traditional Name: nitric acid [5-[2-[(5-bromoquinoxalin-6-yl)amino]-2-imidazolin-1-yl]-5-keto-pentyl] ester Formula: C16H17BrN6O4 MolecularWeight: 437.24798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN6O4/c17-14-11(4-5-12-15(14)19-7-6-18-12)21-16-20-8-9-22(16)13(24)3-1-2-10-27-23(25)26/h4-7H,1-3,8-10H2,(H,20,21)