O1-tert-butyl O4-ethyl 4-[1-(4-fluorophenyl)-2-nitro-ethyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[1-(4-fluorophenyl)-2-nitro-ethyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[1-(4-fluorophenyl)-2-nitro-ethyl]piperidine-1,4-dicarboxylate CAS Name: 4-[1-(4-fluorophenyl)-2-nitroethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[1-(4-fluorophenyl)-2-nitroethyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[1-(4-fluorophenyl)-2-nitro-ethyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C21H29FN2O6 MolecularWeight: 424.463163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(C[N+](=O)[O-])C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(C[N+](=O)[O-])C2=CC=C(C=C2)F

InChI

InChI=1S/C21H29FN2O6/c1-5-29-18(25)21(10-12-23(13-11-21)19(26)30-20(2,3)4)17(14-24(27)28)15-6-8-16(22)9-7-15/h6-9,17H,5,10-14H2,1-4H3