7-(1-imidazol-1-yl-1-morpholin-4-yl-ethyl)-5-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrate

Systemtic Name: 7-(1-imidazol-1-yl-1-morpholin-4-yl-ethyl)-5-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrate Openeye Name: 7-(1-imidazol-1-yl-1-morpholino-ethyl)-5-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrate CAS Name: 7-[1-(1-imidazolyl)-1-(4-morpholinyl)ethyl]-5-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrate IUPAC Name: 7-(1-imidazol-1-yl-1-morpholin-4-ylethyl)-5-nitro-1,4-dihydroquinoxaline-2,3-dione dihydrate Traditional Name: 7-(1-imidazol-1-yl-1-morpholino-ethyl)-5-nitro-1,4-dihydroquinoxaline-2,3-quinone dihydrate Formula: C17H22N6O7 MolecularWeight: 422.39258

Click to see the large picture

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.O

Isomeric SMILES

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

InChI

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