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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

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