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

Systemtic Name: tert-butyl 4-[(4-nitrocyclohexyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-nitrocyclohexyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-nitrocyclohexyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-nitrocyclohexyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-nitrocyclohexyl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H29N3O4 MolecularWeight: 327.41916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2CCC(CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2CCC(CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H29N3O4/c1-16(2,3)23-15(20)18-10-8-17(9-11-18)12-13-4-6-14(7-5-13)19(21)22/h13-14H,4-12H2,1-3H3