N-(1,3-benzodioxol-5-yl)-1-[2-(4-nitrophenyl)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-nitrophenyl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-nitrophenyl)acetyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-nitrophenyl)-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-nitrophenyl)acetyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(4-nitrophenyl)acetyl]isonipecotamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-20(11-14-1-4-17(5-2-14)24(27)28)23-9-7-15(8-10-23)21(26)22-16-3-6-18-19(12-16)30-13-29-18/h1-6,12,15H,7-11,13H2,(H,22,26)