tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxidanylidenepropyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxidanylidenepropyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxopropyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(4-nitrophenoxy)-oxomethyl]-(3-oxopropyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-nitrophenoxy)carbonyl-(3-oxopropyl)amino]piperidine-1-carboxylate Traditional Name: 4-[3-ketopropyl-(4-nitrophenoxy)carbonyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CCC=O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CCC=O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O7/c1-20(2,3)30-18(25)21-12-9-15(10-13-21)22(11-4-14-24)19(26)29-17-7-5-16(6-8-17)23(27)28/h5-8,14-15H,4,9-13H2,1-3H3