(4-bromophenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (4-bromophenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4-bromophenyl) ester Formula: C18H17BrN2O4 MolecularWeight: 405.24258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)Br)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O4/c19-14-5-7-15(8-6-14)25-18(22)13-9-11-20(12-10-13)16-3-1-2-4-17(16)21(23)24/h1-8,13H,9-12H2