N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H21N5O5 MolecularWeight: 435.43264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-25-9-8-23-21(25)20(28)15-2-5-17(6-3-15)24-22(29)16-4-7-18(19(14-16)27(30)31)26-10-12-32-13-11-26/h2-9,14H,10-13H2,1H3,(H,24,29)