5,7-di(imidazol-1-yl)-6-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5,7-di(imidazol-1-yl)-6-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5,7-di(imidazol-1-yl)-6-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5,7-bis(1-imidazolyl)-6-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5,7-di(imidazol-1-yl)-6-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5,7-di(imidazol-1-yl)-6-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C14H9N7O4 MolecularWeight: 339.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C(=C3C(=C2)NC(=O)C(=O)N3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(C(=C3C(=C2)NC(=O)C(=O)N3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C14H9N7O4/c22-13-14(23)18-10-8(17-13)5-9(19-3-1-15-6-19)11(21(24)25)12(10)20-4-2-16-7-20/h1-7H,(H,17,22)(H,18,23)