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

Systemtic Name: O4-tert-butyl O1-ethyl 4-[(2-nitrophenyl)methyl]piperidine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-ethyl 4-[(2-nitrophenyl)methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(2-nitrophenyl)methyl]piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 4-[(2-nitrophenyl)methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-(2-nitrobenzyl)piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O6/c1-5-27-18(24)21-12-10-20(11-13-21,17(23)28-19(2,3)4)14-15-8-6-7-9-16(15)22(25)26/h6-9H,5,10-14H2,1-4H3