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

Systemtic Name: 2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]-3-oxidanyl-butanoic acid hydrobromide Openeye Name: 3-hydroxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid hydrobromide CAS Name: 3-hydroxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid hydrobromide IUPAC Name: 3-hydroxy-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid hydrobromide Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-3-hydroxy-butyric acid hydrobromide Formula: C13H15BrN4O7 MolecularWeight: 419.1848

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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-])O.Br

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O7.BrH/c1-5(18)9(13(21)22)14-4-6-2-7(17(23)24)3-8-10(6)16-12(20)11(19)15-8;/h2-3,5,9,14,18H,4H2,1H3,(H,15,19)(H,16,20)(H,21,22);1H