[2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)pentyl] ethanoate

Systemtic Name: [2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)pentyl] ethanoate Openeye Name: [2-nitro-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)pentyl] acetate CAS Name: acetic acid [2-nitro-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)pentyl] ester IUPAC Name: [2-nitro-1-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)pentyl] acetate Traditional Name: acetic acid [1-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-2-nitro-pentyl] ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-3-6-13(18(22)23)15(24-10(2)19)14-9-16(20)11-7-4-5-8-12(11)17(14)21/h4-5,7-9,13,15H,3,6H2,1-2H3