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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholino-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-ethyl-4-morpholino-3-nitro-N-piperonyl-benzamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-2-22(13-15-3-6-19-20(11-15)30-14-29-19)21(25)16-4-5-17(18(12-16)24(26)27)23-7-9-28-10-8-23/h3-6,11-12H,2,7-10,13-14H2,1H3