6-(1-imidazol-1-yl-1-morpholin-4-yl-ethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate

Systemtic Name: 6-(1-imidazol-1-yl-1-morpholin-4-yl-ethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate Openeye Name: 6-(1-imidazol-1-yl-1-morpholino-ethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate CAS Name: 6-[1-(1-imidazolyl)-1-(4-morpholinyl)ethyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate IUPAC Name: 6-(1-imidazol-1-yl-1-morpholin-4-ylethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate Traditional Name: 6-(1-imidazol-1-yl-1-morpholino-ethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrate Formula: C17H20N6O6 MolecularWeight: 404.3773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2)(N3CCOCC3)N4C=CN=C4.O

Isomeric SMILES

CC(C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2)(N3CCOCC3)N4C=CN=C4.O

InChI

InChI=1S/C17H18N6O5.H2O/c1-17(22-3-2-18-10-22,21-4-6-28-7-5-21)11-8-12-13(9-14(11)23(26)27)20-16(25)15(24)19-12;/h2-3,8-10H,4-7H2,1H3,(H,19,24)(H,20,25);1H2