2-methyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid bromide

Systemtic Name: 2-methyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid bromide Openeye Name: 2-methyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid bromide CAS Name: 2-methyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid bromide IUPAC Name: 2-methyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid bromide Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-2-methyl-propionic acid bromide Formula: C13H14BrN4O6- MolecularWeight: 402.17746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(C)(C(=O)O)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C13H14N4O6.BrH/c1-13(2,12(20)21)14-5-6-3-7(17(22)23)4-8-9(6)16-11(19)10(18)15-8;/h3-4,14H,5H2,1-2H3,(H,15,18)(H,16,19)(H,20,21);1H/p-1