N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)isonipecotamide Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-13(25)15-10-19-20(30-12-29-19)11-16(15)22-21(26)14-6-8-23(9-7-14)17-4-2-3-5-18(17)24(27)28/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,26)