(5-ethanoyl-2-methoxy-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6/c1-15(25)17-7-8-21(29-2)18(13-17)14-30-22(26)16-9-11-23(12-10-16)19-5-3-4-6-20(19)24(27)28/h3-8,13,16H,9-12,14H2,1-2H3