N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-morpholino-5-nitro-benzamide Formula: C20H19N3O7 MolecularWeight: 413.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)OCO2

InChI

InChI=1S/C20H19N3O7/c1-12(24)14-9-18-19(30-11-29-18)10-16(14)21-20(25)15-8-13(23(26)27)2-3-17(15)22-4-6-28-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H,21,25)