N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-ethyl-1-(2-nitrophenyl)-N-piperonyl-isonipecotamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-23(14-16-7-8-20-21(13-16)30-15-29-20)22(26)17-9-11-24(12-10-17)18-5-3-4-6-19(18)25(27)28/h3-8,13,17H,2,9-12,14-15H2,1H3