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

Systemtic Name: (4-ethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (4-ethylphenyl) ester Formula: C20H22N2O4 MolecularWeight: 354.39968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-2-15-7-9-17(10-8-15)26-20(23)16-11-13-21(14-12-16)18-5-3-4-6-19(18)22(24)25/h3-10,16H,2,11-14H2,1H3