tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-nitrophenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(3-nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-9-7-17(8-10-18)12-13-5-4-6-14(11-13)19(21)22/h4-6,11H,7-10,12H2,1-3H3