ethyl (4R,5S)-5-azanyl-4-nitro-3-(trifluoromethyl)hexanoate

Systemtic Name: ethyl (4R,5S)-5-azanyl-4-nitro-3-(trifluoromethyl)hexanoate Openeye Name: ethyl (4R,5S)-5-amino-4-nitro-3-(trifluoromethyl)hexanoate CAS Name: (4R,5S)-5-amino-4-nitro-3-(trifluoromethyl)hexanoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-amino-4-nitro-3-(trifluoromethyl)hexanoate Traditional Name: (4R,5S)-5-amino-4-nitro-3-(trifluoromethyl)hexanoic acid ethyl ester Formula: C9H15F3N2O4 MolecularWeight: 272.22161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C(C)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)CC([C@H]([C@H](C)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H15F3N2O4/c1-3-18-7(15)4-6(9(10,11)12)8(5(2)13)14(16)17/h5-6,8H,3-4,13H2,1-2H3/t5-,6?,8-/m0/s1