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

Systemtic Name: 3-acetyloxy-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]propanoic acid hydrobromide Openeye Name: 3-acetoxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid hydrobromide CAS Name: 3-acetyloxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid hydrobromide IUPAC Name: 3-acetyloxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]propanoic acid hydrobromide Traditional Name: 3-acetoxy-2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]propionic acid hydrobromide Formula: C14H15BrN4O8 MolecularWeight: 447.1949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O8.BrH/c1-6(19)26-5-10(14(22)23)15-4-7-2-8(18(24)25)3-9-11(7)17-13(21)12(20)16-9;/h2-3,10,15H,4-5H2,1H3,(H,16,20)(H,17,21)(H,22,23);1H