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

Systemtic Name: (E)-4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]but-2-enoic acid Openeye Name: (E)-4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)but-2-enoic acid CAS Name: (E)-4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)-2-butenoic acid IUPAC Name: (E)-4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)but-2-enoic acid Traditional Name: (E)-4-(2,3-diketo-6-nitro-4H-quinoxalin-1-yl)but-2-enoic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2CC=CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2C/C=C/C(=O)O

InChI

InChI=1S/C12H9N3O6/c16-10(17)2-1-5-14-9-4-3-7(15(20)21)6-8(9)13-11(18)12(14)19/h1-4,6H,5H2,(H,13,18)(H,16,17)/b2-1+