(4-aminocarbonyl-2-nitro-phenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2,4-difluorobenzoyl)isonipecotic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19F2N3O6 MolecularWeight: 447.388866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H19F2N3O6/c22-15-3-4-16(17(23)10-15)20(28)25-7-5-12(6-8-25)21(29)32-11-14-2-1-13(19(24)27)9-18(14)26(30)31/h1-4,9-10,12H,5-8,11H2,(H2,24,27)