N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]ethanamide

Systemtic Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methyl]ethanamide Openeye Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]acetamide CAS Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]acetamide IUPAC Name: N-[[3-(hydroxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methyl]acetamide Traditional Name: N-[(2-keto-3-methylol-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methyl]acetamide Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)CO)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-6(18)13-4-7-2-8(16(20)21)3-9-11(7)14-10(5-17)12(19)15-9/h2-3,10,14,17H,4-5H2,1H3,(H,13,18)(H,15,19)