(4-aminocarbonyl-2-nitro-phenyl)methyl 1-ethanoylpiperidine-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-ethanoylpiperidine-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-acetylpiperidine-3-carboxylate CAS Name: 1-acetyl-3-piperidinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-acetylpiperidine-3-carboxylate Traditional Name: 1-acetylnipecotic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCCC(C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6/c1-10(20)18-6-2-3-12(8-18)16(22)25-9-13-5-4-11(15(17)21)7-14(13)19(23)24/h4-5,7,12H,2-3,6,8-9H2,1H3,(H2,17,21)