[(E)-3-phenylprop-2-enyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [(E)-cinnamyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [(E)-cinnamyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC=CC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OC/C=C/C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c24-21(27-16-6-9-17-7-2-1-3-8-17)18-12-14-22(15-13-18)19-10-4-5-11-20(19)23(25)26/h1-11,18H,12-16H2/b9-6+