tert-butyl 4-[2-[2,5-bis(chloranyl)-4-nitro-phenyl]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2,5-bis(chloranyl)-4-nitro-phenyl]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,5-dichloro-4-nitro-phenyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(2,5-dichloro-4-nitrophenyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,5-dichloro-4-nitrophenyl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,5-dichloro-4-nitro-phenyl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23Cl2N3O4 MolecularWeight: 404.28822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H23Cl2N3O4/c1-17(2,3)26-16(23)21-8-6-20(7-9-21)5-4-12-10-14(19)15(22(24)25)11-13(12)18/h10-11H,4-9H2,1-3H3