(2-methoxy-5-nitro-phenyl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H21FN2O6 MolecularWeight: 416.399643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O6/c1-29-19-7-6-18(24(27)28)12-16(19)13-30-21(26)15-8-10-23(11-9-15)20(25)14-2-4-17(22)5-3-14/h2-7,12,15H,8-11,13H2,1H3