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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-13(14-3-5-18-19(11-14)29-12-28-18)21-20(24)15-2-4-16(17(10-15)23(25)26)22-6-8-27-9-7-22/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,24)