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

Systemtic Name: 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethanoic acid bromide Openeye Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]acetic acid bromide CAS Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]acetic acid bromide IUPAC Name: 2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]acetic acid bromide Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]acetic acid bromide Formula: C11H10BrN4O6- MolecularWeight: 374.1243

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCC(=O)O)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CNCC(=O)O)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C11H10N4O6.BrH/c16-8(17)4-12-3-5-1-6(15(20)21)2-7-9(5)14-11(19)10(18)13-7;/h1-2,12H,3-4H2,(H,13,18)(H,14,19)(H,16,17);1H/p-1