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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=N3)C(=O)O

Isomeric SMILES

C1=CN(C=N1)CC2=CC3=C(C=C2[N+](=O)[O-])NC(=O)C(=N3)C(=O)O

InChI

InChI=1S/C13H9N5O5/c19-12-11(13(20)21)15-8-3-7(5-17-2-1-14-6-17)10(18(22)23)4-9(8)16-12/h1-4,6H,5H2,(H,16,19)(H,20,21)