6-imidazol-1-yl-8-morpholin-4-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate

Systemtic Name: 6-imidazol-1-yl-8-morpholin-4-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate Openeye Name: 6-imidazol-1-yl-8-morpholino-5-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate CAS Name: 6-(1-imidazolyl)-8-(4-morpholinyl)-5-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate IUPAC Name: 6-imidazol-1-yl-8-morpholin-4-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate Traditional Name: 6-imidazol-1-yl-8-morpholino-5-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrate Formula: C15H16N6O6 MolecularWeight: 376.32414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C(=C(C(=C2)N4C=CN=C4)[N+](=O)[O-])NC(=O)C(=O)N3.O

Isomeric SMILES

C1COCCN1C2=C3C(=C(C(=C2)N4C=CN=C4)[N+](=O)[O-])NC(=O)C(=O)N3.O

InChI

InChI=1S/C15H14N6O5.H2O/c22-14-15(23)18-12-11(17-14)9(19-3-5-26-6-4-19)7-10(13(12)21(24)25)20-2-1-16-8-20;/h1-2,7-8H,3-6H2,(H,17,22)(H,18,23);1H2