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

Systemtic Name: 3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid hydrobromide Openeye Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid hydrobromide CAS Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid hydrobromide IUPAC Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid hydrobromide Traditional Name: 3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]propionic acid hydrobromide Formula: C12H13BrN4O6 MolecularWeight: 389.15882

Click to see the large picture

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