3-methyl-2-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-morpholino-3,5-dinitro-benzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-morpholin-4-yl-3,5-dinitrobenzoyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(4-morpholino-3,5-dinitro-benzoyl)amino]butyric acid Formula: C16H20N4O8 MolecularWeight: 396.352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O8/c1-9(2)13(16(22)23)17-15(21)10-7-11(19(24)25)14(12(8-10)20(26)27)18-3-5-28-6-4-18/h7-9,13H,3-6H2,1-2H3,(H,17,21)(H,22,23)