7-(5-methyl-1H-imidazol-2-yl)-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-(5-methyl-1H-imidazol-2-yl)-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-(5-methyl-1H-imidazol-2-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-(5-methyl-1H-imidazol-2-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-(5-methyl-1H-imidazol-2-yl)-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-7-(5-methyl-1H-imidazol-2-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=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=N3)C(=O)O

Isomeric SMILES

CC1=CN=C(N1)C2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=N3)C(=O)O

InChI

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