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

Systemtic Name: [4-[2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydroimidazol-1-yl]-4-oxobutyl] ester IUPAC Name: [4-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[2-[(5-bromoquinoxalin-6-yl)amino]-2-imidazolin-1-yl]-4-keto-butyl] ester Formula: C15H15BrN6O4 MolecularWeight: 423.2214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN6O4/c16-13-10(3-4-11-14(13)18-6-5-17-11)20-15-19-7-8-21(15)12(23)2-1-9-26-22(24)25/h3-6H,1-2,7-9H2,(H,19,20)