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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-4-15(3,18(22)23)14(24-10(2)19)13-9-16(20)11-7-5-6-8-12(11)17(13)21/h5-9,14H,4H2,1-3H3