4-[7-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butanoic acid

Systemtic Name: 4-[7-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butanoic acid Openeye Name: 4-(7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butanoic acid CAS Name: 4-(7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butanoic acid IUPAC Name: 4-(7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butanoic acid Traditional Name: 4-(2,3-diketo-7-nitro-4H-quinoxalin-1-yl)butyric acid Formula: C12H11N3O6 MolecularWeight: 293.23224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=O)C(=O)N2)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(C(=O)C(=O)N2)CCCC(=O)O

InChI

InChI=1S/C12H11N3O6/c16-10(17)2-1-5-14-9-6-7(15(20)21)3-4-8(9)13-11(18)12(14)19/h3-4,6H,1-2,5H2,(H,13,18)(H,16,17)