O1-ethyl O3-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O7/c1-4-16-8-6-7-9-21(16)18(23)13(3)29-20(25)15-10-14(19(24)28-5-2)11-17(12-15)22(26)27/h10-13,16H,4-9H2,1-3H3