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

Systemtic Name: O1-ethyl 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-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: 3-O-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-benzylpiperidino)-2-keto-ethyl] ester O1-ethyl ester Formula: C24H26N2O7 MolecularWeight: 454.47244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O7/c1-2-32-23(28)19-13-20(15-21(14-19)26(30)31)24(29)33-16-22(27)25-10-8-18(9-11-25)12-17-6-4-3-5-7-17/h3-7,13-15,18H,2,8-12,16H2,1H3