O4-tert-butyl O1-ethyl 4-[(3-nitrophenyl)methyl]piperidine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-ethyl 4-[(3-nitrophenyl)methyl]piperidine-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-ethyl 4-[(3-nitrophenyl)methyl]piperidine-1,4-dicarboxylate CAS Name: 4-[(3-nitrophenyl)methyl]piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 4-[(3-nitrophenyl)methyl]piperidine-1,4-dicarboxylate Traditional Name: 4-(3-nitrobenzyl)piperidine-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

Click to see the large picture

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