[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC)C

InChI

InChI=1S/C19H27N3O6/c1-13-5-4-6-14(2)21(13)18(23)12-28-19(24)16-11-15(22(25)26)7-8-17(16)20-9-10-27-3/h7-8,11,13-14,20H,4-6,9-10,12H2,1-3H3/t13-,14-/m1/s1