(4-aminocarbonyl-2-nitro-phenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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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=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O6/c22-17-5-3-13(4-6-17)20(27)24-9-7-14(8-10-24)21(28)31-12-16-2-1-15(19(23)26)11-18(16)25(29)30/h1-6,11,14H,7-10,12H2,(H2,23,26)