tert-butyl N-[(2R)-1-nitrooctan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-nitrooctan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(nitromethyl)heptyl]carbamate CAS Name: N-[(2R)-1-nitrooctan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-nitrooctan-2-yl]carbamate Traditional Name: N-[(1R)-1-(nitromethyl)heptyl]carbamic acid tert-butyl ester Formula: C13H26N2O4 MolecularWeight: 274.35654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC[C@H](C[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H26N2O4/c1-5-6-7-8-9-11(10-15(17)18)14-12(16)19-13(2,3)4/h11H,5-10H2,1-4H3,(H,14,16)/t11-/m1/s1