tert-butyl 4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-4-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-4-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-chloro-4-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20ClN3O5 MolecularWeight: 369.8001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5/c1-16(2,3)25-15(22)19-8-6-18(7-9-19)14(21)12-5-4-11(20(23)24)10-13(12)17/h4-5,10H,6-9H2,1-3H3