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

Systemtic Name: tert-butyl 4-(3-nitro-4-oxidanyl-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-hydroxy-3-nitro-phenyl)piperazine-1-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-hydroxy-3-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-15(2,3)23-14(20)17-8-6-16(7-9-17)11-4-5-13(19)12(10-11)18(21)22/h4-5,10,19H,6-9H2,1-3H3