O1-methyl O3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: 3-O-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-benzylpiperidino)-2-keto-ethyl] ester O1-methyl ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O7/c1-31-22(27)18-12-19(14-20(13-18)25(29)30)23(28)32-15-21(26)24-9-7-17(8-10-24)11-16-5-3-2-4-6-16/h2-6,12-14,17H,7-11,15H2,1H3