1-[methyl-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]amino]ethylphosphonic acid hydrobromide

Systemtic Name: 1-[methyl-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]amino]ethylphosphonic acid hydrobromide Openeye Name: 1-[methyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]ethylphosphonic acid hydrobromide CAS Name: 1-[methyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]ethylphosphonic acid hydrobromide IUPAC Name: 1-[methyl-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]amino]ethylphosphonic acid hydrobromide Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]ethylphosphonic acid hydrobromide Formula: C12H16BrN4O7P MolecularWeight: 439.155801

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)CC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])P(=O)(O)O.Br

Isomeric SMILES

CC(N(C)CC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-])P(=O)(O)O.Br

InChI

InChI=1S/C12H15N4O7P.BrH/c1-6(24(21,22)23)15(2)5-7-3-8(16(19)20)4-9-10(7)14-12(18)11(17)13-9;/h3-4,6H,5H2,1-2H3,(H,13,17)(H,14,18)(H2,21,22,23);1H