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

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

Systemtic Name:3-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]propanoic acid
Openeye Name:3-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)propanoic acid
CAS Name:3-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)propanoic acid
IUPAC Name:3-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)propanoic acid
Traditional Name:3-(2,3-diketo-6-nitro-4H-quinoxalin-1-yl)propionic acid
Formula: C11H9N3O6
MolecularWeight: 279.20566
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CCC(=O)O


Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CCC(=O)O


InChI

InChI=1S/C11H9N3O6/c15-9(16)3-4-13-8-2-1-6(14(19)20)5-7(8)12-10(17)11(13)18/h1-2,5H,3-4H2,(H,12,17)(H,15,16)


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