7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-(hydroxymethyl)-1-imidazolyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-(hydroxymethyl)imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-7-(4-methylolimidazol-1-yl)-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C13H9N5O6 MolecularWeight: 331.24046

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])N3C=C(N=C3)CO)N=C(C(=O)N2)C(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])N3C=C(N=C3)CO)N=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C13H9N5O6/c19-4-6-3-17(5-14-6)9-1-7-8(2-10(9)18(23)24)16-12(20)11(15-7)13(21)22/h1-3,5,19H,4H2,(H,16,20)(H,21,22)