1-(2-methyl-5-nitro-phenoxy)-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: 1-(2-methyl-5-nitro-phenoxy)-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-(isopropylamino)-3-(2-methyl-5-nitro-phenoxy)propan-2-ol CAS Name: 1-(2-methyl-5-nitrophenoxy)-3-(propan-2-ylamino)-2-propanol IUPAC Name: 1-(2-methyl-5-nitrophenoxy)-3-(propan-2-ylamino)propan-2-ol Traditional Name: 1-(isopropylamino)-3-(2-methyl-5-nitro-phenoxy)propan-2-ol Formula: C13H20N2O4 MolecularWeight: 268.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-9(2)14-7-12(16)8-19-13-6-11(15(17)18)5-4-10(13)3/h4-6,9,12,14,16H,7-8H2,1-3H3