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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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