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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

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