tert-butyl 4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(dimethylamino)-5-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(dimethylamino)-5-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(dimethylamino)-5-nitro-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C18H26N4O5/c1-18(2,3)27-17(24)21-10-8-20(9-11-21)16(23)14-12-13(22(25)26)6-7-15(14)19(4)5/h6-7,12H,8-11H2,1-5H3