4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butanoic acid

Systemtic Name: 4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]butanoic acid Openeye Name: 4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butanoic acid CAS Name: 4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butanoic acid IUPAC Name: 4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)butanoic acid Traditional Name: 4-(2,3-diketo-6-nitro-4H-quinoxalin-1-yl)butyric acid Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CCCC(=O)O

InChI

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