4-(1-hydroxyethyl)-6-imidazol-1-yl-8-nitro-1H-quinoxaline-2,3-dione hydrate

Systemtic Name: 4-(1-hydroxyethyl)-6-imidazol-1-yl-8-nitro-1H-quinoxaline-2,3-dione hydrate Openeye Name: 4-(1-hydroxyethyl)-6-imidazol-1-yl-8-nitro-1H-quinoxaline-2,3-dione hydrate CAS Name: 4-(1-hydroxyethyl)-6-(1-imidazolyl)-8-nitro-1H-quinoxaline-2,3-dione hydrate IUPAC Name: 4-(1-hydroxyethyl)-6-imidazol-1-yl-8-nitro-1H-quinoxaline-2,3-dione hydrate Traditional Name: 4-(1-hydroxyethyl)-6-imidazol-1-yl-8-nitro-1H-quinoxaline-2,3-quinone hydrate Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC(=CC(=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3)O.O

Isomeric SMILES

CC(N1C2=CC(=CC(=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3)O.O

InChI

InChI=1S/C13H11N5O5.H2O/c1-7(19)17-9-4-8(16-3-2-14-6-16)5-10(18(22)23)11(9)15-12(20)13(17)21;/h2-7,19H,1H3,(H,15,20);1H2