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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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