(2S)-1-(tert-butylamino)-3-(5-methyl-2-nitro-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-(tert-butylamino)-3-(5-methyl-2-nitro-phenoxy)propan-2-ol Openeye Name: (2S)-1-(tert-butylamino)-3-(5-methyl-2-nitro-phenoxy)propan-2-ol CAS Name: (2S)-1-(tert-butylamino)-3-(5-methyl-2-nitrophenoxy)-2-propanol IUPAC Name: (2S)-1-(tert-butylamino)-3-(5-methyl-2-nitrophenoxy)propan-2-ol Traditional Name: (2S)-1-(tert-butylamino)-3-(5-methyl-2-nitro-phenoxy)propan-2-ol Formula: C14H22N2O4 MolecularWeight: 282.33548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCC(CNC(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC[C@H](CNC(C)(C)C)O

InChI

InChI=1S/C14H22N2O4/c1-10-5-6-12(16(18)19)13(7-10)20-9-11(17)8-15-14(2,3)4/h5-7,11,15,17H,8-9H2,1-4H3/t11-/m0/s1