tert-butyl N-[3-(nitromethyl)-1-oxidanyl-heptan-4-yl]carbamate

Systemtic Name: tert-butyl N-[3-(nitromethyl)-1-oxidanyl-heptan-4-yl]carbamate Openeye Name: tert-butyl N-[4-hydroxy-2-(nitromethyl)-1-propyl-butyl]carbamate CAS Name: N-[1-hydroxy-3-(nitromethyl)heptan-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-hydroxy-3-(nitromethyl)heptan-4-yl]carbamate Traditional Name: N-[4-hydroxy-2-(nitromethyl)-1-propyl-butyl]carbamic acid tert-butyl ester Formula: C13H26N2O5 MolecularWeight: 290.35594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O5/c1-5-6-11(10(7-8-16)9-15(18)19)14-12(17)20-13(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,14,17)