tert-butyl 4-[3-[(4-methoxycarbonyl-2-nitro-phenyl)amino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-methoxycarbonyl-2-nitro-phenyl)amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-methoxycarbonyl-2-nitro-anilino)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-(4-methoxycarbonyl-2-nitroanilino)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-methoxycarbonyl-2-nitroanilino)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-carbomethoxy-2-nitro-anilino)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6/c1-23(2,3)33-22(29)26-12-10-25(11-13-26)18-7-5-6-17(15-18)24-19-9-8-16(21(28)32-4)14-20(19)27(30)31/h5-9,14-15,24H,10-13H2,1-4H3