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

Systemtic Name: 3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid bromide Openeye Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid bromide CAS Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid bromide IUPAC Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid bromide Traditional Name: 3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]propionic acid bromide Formula: C12H12BrN4O6- MolecularWeight: 388.15088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O6.BrH/c17-9(18)1-2-13-5-6-3-7(16(21)22)4-8-10(6)15-12(20)11(19)14-8;/h3-4,13H,1-2,5H2,(H,14,19)(H,15,20)(H,17,18);1H/p-1