O3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester O1-methyl ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7/c1-11-5-4-6-12(2)19(11)16(21)10-27-18(23)14-7-13(17(22)26-3)8-15(9-14)20(24)25/h7-9,11-12H,4-6,10H2,1-3H3/t11-,12-/m0/s1