methyl 1-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-(dimethylamino)-5-nitro-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(dimethylamino)-5-nitrobenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(dimethylamino)-5-nitro-benzoyl]isonipecotic acid methyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H21N3O5/c1-17(2)14-5-4-12(19(22)23)10-13(14)15(20)18-8-6-11(7-9-18)16(21)24-3/h4-5,10-11H,6-9H2,1-3H3