5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[[4-(hydroxymethyl)-1-imidazolyl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[(4-methylolimidazol-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN3C=C(N=C3)CO)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(=O)N2)CN3C=C(N=C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O5/c19-5-8-4-17(6-14-8)3-7-1-9(18(22)23)2-10-11(7)16-13(21)12(20)15-10/h1-2,4,6,19H,3,5H2,(H,15,20)(H,16,21)