[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-16(17-7-3-2-4-8-17)23-21(26)15-30-22(27)18-11-13-24(14-12-18)19-9-5-6-10-20(19)25(28)29/h2-10,16,18H,11-15H2,1H3,(H,23,26)/t16-/m1/s1