2-ethyl-2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)propane-1,3-diol

Systemtic Name: 2-ethyl-2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)propane-1,3-diol Openeye Name: 2-ethyl-2-nitro-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)propane-1,3-diol CAS Name: 2-ethyl-2-nitro-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)propane-1,3-diol IUPAC Name: 2-ethyl-2-nitro-1-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)propane-1,3-diol Traditional Name: 2-ethyl-1-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-2-nitro-propane-1,3-diol Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(C1=C[N+](=O)C2=CC=CC=C2N1[O-])O)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)(C(C1=C[N+](=O)C2=CC=CC=C2N1[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-2-13(8-17,16(21)22)12(18)11-7-14(19)9-5-3-4-6-10(9)15(11)20/h3-7,12,17-18H,2,8H2,1H3