[4-nitro-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-1,3-dioxan-5-yl]methanol

Systemtic Name: [4-nitro-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-1,3-dioxan-5-yl]methanol Openeye Name: [4-nitro-2-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)-1,3-dioxan-5-yl]methanol CAS Name: [4-nitro-2-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)-1,3-dioxan-5-yl]methanol IUPAC Name: [4-nitro-2-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)-1,3-dioxan-5-yl]methanol Traditional Name: [2-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-4-nitro-1,3-dioxan-5-yl]methanol Formula: C13H13N3O7 MolecularWeight: 323.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=C[N+](=O)C3=CC=CC=C3N2[O-])[N+](=O)[O-])CO

Isomeric SMILES

C1C(C(OC(O1)C2=C[N+](=O)C3=CC=CC=C3N2[O-])[N+](=O)[O-])CO

InChI

InChI=1S/C13H13N3O7/c17-6-8-7-22-13(23-12(8)16(20)21)11-5-14(18)9-3-1-2-4-10(9)15(11)19/h1-5,8,12-13,17H,6-7H2