7-(4-methylimidazol-1-yl)-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-(4-methylimidazol-1-yl)-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-(4-methylimidazol-1-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-(4-methyl-1-imidazolyl)-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-(4-methylimidazol-1-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-7-(4-methylimidazol-1-yl)-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C13H9N5O5 MolecularWeight: 315.24106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C=N1)C2=C(C=C3C(=C2)N=C(C(=O)N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5/c1-6-4-17(5-14-6)9-2-7-8(3-10(9)18(22)23)16-12(19)11(15-7)13(20)21/h2-5H,1H3,(H,16,19)(H,20,21)