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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(4-bromanyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(4-bromo-2-nitro-phenyl)isonipecotamide Formula: C19H18BrN3O5 MolecularWeight: 448.26732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O5/c20-13-1-3-15(16(9-13)23(25)26)22-7-5-12(6-8-22)19(24)21-14-2-4-17-18(10-14)28-11-27-17/h1-4,9-10,12H,5-8,11H2,(H,21,24)