tert-butyl N-[(3S)-1-nitro-4-oxidanyl-3-pentan-3-yloxy-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-nitro-4-oxidanyl-3-pentan-3-yloxy-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(2S)-2-(1-ethylpropoxy)-3-hydroxy-1-(nitromethyl)propyl]carbamate CAS Name: N-[(3S)-4-hydroxy-1-nitro-3-pentan-3-yloxybutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-4-hydroxy-1-nitro-3-pentan-3-yloxybutan-2-yl]carbamate Traditional Name: N-[(2S)-2-(1-ethylpropoxy)-3-hydroxy-1-(nitromethyl)propyl]carbamic acid tert-butyl ester Formula: C14H28N2O6 MolecularWeight: 320.38192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(CO)C(C[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)O[C@H](CO)C(C[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H28N2O6/c1-6-10(7-2)21-12(9-17)11(8-16(19)20)15-13(18)22-14(3,4)5/h10-12,17H,6-9H2,1-5H3,(H,15,18)/t11?,12-/m1/s1