tert-butyl 4-(4-nitro-3-oxidanyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-nitro-3-oxidanyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-hydroxy-4-nitro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(3-hydroxy-4-nitrophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-hydroxy-4-nitrobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(3-hydroxy-4-nitro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)14(21)11-4-5-12(19(23)24)13(20)10-11/h4-5,10,20H,6-9H2,1-3H3