1-(4-bromanyl-2-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol dihydrochloride

Systemtic Name: 1-(4-bromanyl-2-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol dihydrochloride Openeye Name: 1-(4-bromo-2-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol dihydrochloride CAS Name: 1-(4-bromo-2-nitrophenoxy)-3-(tert-butylamino)-2-propanol dihydrochloride IUPAC Name: 1-(4-bromo-2-nitrophenoxy)-3-(tert-butylamino)propan-2-ol dihydrochloride Traditional Name: 1-(4-bromo-2-nitro-phenoxy)-3-(tert-butylamino)propan-2-ol dihydrochloride Formula: C13H21BrCl2N2O4 MolecularWeight: 420.12684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)Br)[N+](=O)[O-])O.Cl.Cl

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)Br)[N+](=O)[O-])O.Cl.Cl

InChI

InChI=1S/C13H19BrN2O4.2ClH/c1-13(2,3)15-7-10(17)8-20-12-5-4-9(14)6-11(12)16(18)19;;/h4-6,10,15,17H,7-8H2,1-3H3;2*1H