tert-butyl N-[(2S,3S)-2-nitroheptan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-2-nitroheptan-3-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(1S)-1-nitroethyl]pentyl]carbamate CAS Name: N-[(2S,3S)-2-nitroheptan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-2-nitroheptan-3-yl]carbamate Traditional Name: N-[(1S)-1-[(1S)-1-nitroethyl]pentyl]carbamic acid tert-butyl ester Formula: C12H24N2O4 MolecularWeight: 260.32996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O4/c1-6-7-8-10(9(2)14(16)17)13-11(15)18-12(3,4)5/h9-10H,6-8H2,1-5H3,(H,13,15)/t9-,10-/m0/s1