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

Systemtic Name: tert-butyl 4-[4-[(2-chloranyl-5-nitro-phenyl)carbonylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(2-chloro-5-nitro-benzoyl)amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(2-chloro-5-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(2-chloro-5-nitro-benzoyl)amino]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H25ClN4O6 MolecularWeight: 488.9208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O6/c1-23(2,3)34-22(31)27-12-10-26(11-13-27)21(30)15-4-6-16(7-5-15)25-20(29)18-14-17(28(32)33)8-9-19(18)24/h4-9,14H,10-13H2,1-3H3,(H,25,29)