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

Systemtic Name: ethyl (4R,5S)-5-azanyl-4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate Openeye Name: ethyl (4R,5S)-5-amino-4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate CAS Name: (4R,5S)-5-amino-4-nitro-5-phenyl-3-(trifluoromethyl)pentanoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-amino-4-nitro-5-phenyl-3-(trifluoromethyl)pentanoate Traditional Name: (4R,5S)-5-amino-4-nitro-5-phenyl-3-(trifluoromethyl)valeric acid ethyl ester Formula: C14H17F3N2O4 MolecularWeight: 334.29099

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C(C1=CC=CC=C1)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)CC([C@H]([C@H](C1=CC=CC=C1)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H17F3N2O4/c1-2-23-11(20)8-10(14(15,16)17)13(19(21)22)12(18)9-6-4-3-5-7-9/h3-7,10,12-13H,2,8,18H2,1H3/t10?,12-,13+/m0/s1