[2-[acetyloxy-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methyl]-2-nitro-butyl] ethanoate

Systemtic Name: [2-[acetyloxy-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methyl]-2-nitro-butyl] ethanoate Openeye Name: [2-[acetoxy-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl]-2-nitro-butyl] acetate CAS Name: acetic acid [2-[acetyloxy-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl]-2-nitrobutyl] ester IUPAC Name: [2-[acetyloxy-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl]-2-nitrobutyl] acetate Traditional Name: acetic acid [2-[acetoxy-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl]-2-nitro-butyl] ester Formula: C17H19N3O8 MolecularWeight: 393.34806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O8/c1-4-17(20(25)26,10-27-11(2)21)16(28-12(3)22)15-9-18(23)13-7-5-6-8-14(13)19(15)24/h5-9,16H,4,10H2,1-3H3