6-nitro-7-[(3-oxidanylpiperidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide

Systemtic Name: 6-nitro-7-[(3-oxidanylpiperidin-1-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione bromide Openeye Name: 6-[(3-hydroxy-1-piperidyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide CAS Name: 6-[(3-hydroxy-1-piperidinyl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide IUPAC Name: 6-[(3-hydroxypiperidin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione bromide Traditional Name: 6-[(3-hydroxypiperidino)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone bromide Formula: C14H16BrN4O5- MolecularWeight: 400.20464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3)O.[Br-]

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=O)N3)O.[Br-]

InChI

InChI=1S/C14H16N4O5.BrH/c19-9-2-1-3-17(7-9)6-8-4-10-11(5-12(8)18(22)23)16-14(21)13(20)15-10;/h4-5,9,19H,1-3,6-7H2,(H,15,20)(H,16,21);1H/p-1