N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H20F3N3O6 MolecularWeight: 479.40591

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])OCO2

InChI

InChI=1S/C22H20F3N3O6/c1-12(29)15-9-19-20(34-11-33-19)10-16(15)26-21(30)13-4-6-27(7-5-13)17-3-2-14(22(23,24)25)8-18(17)28(31)32/h2-3,8-10,13H,4-7,11H2,1H3,(H,26,30)