N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-3-nitro-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-morpholinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-morpholino-ethyl]-3-nitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O6/c24-20(15-2-1-3-16(10-15)23(25)26)21-12-17(22-6-8-27-9-7-22)14-4-5-18-19(11-14)29-13-28-18/h1-5,10-11,17H,6-9,12-13H2,(H,21,24)