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

Systemtic Name: tert-butyl 4-[4-(5-chloranyl-2-nitro-phenoxy)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-chloro-2-nitro-phenoxy)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-chloro-2-nitrophenoxy)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-chloro-2-nitrophenoxy)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-chloro-2-nitro-phenoxy)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24ClN3O5 MolecularWeight: 433.88536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O5/c1-21(2,3)30-20(26)24-12-10-23(11-13-24)16-5-7-17(8-6-16)29-19-14-15(22)4-9-18(19)25(27)28/h4-9,14H,10-13H2,1-3H3