3-[4-nitro-3-(2-oxidanylpropylamino)phenoxy]propane-1,2-diol

Systemtic Name: 3-[4-nitro-3-(2-oxidanylpropylamino)phenoxy]propane-1,2-diol Openeye Name: 3-[3-(2-hydroxypropylamino)-4-nitro-phenoxy]propane-1,2-diol CAS Name: 3-[3-(2-hydroxypropylamino)-4-nitrophenoxy]propane-1,2-diol IUPAC Name: 3-[3-(2-hydroxypropylamino)-4-nitrophenoxy]propane-1,2-diol Traditional Name: 3-[3-(2-hydroxypropylamino)-4-nitro-phenoxy]propane-1,2-diol Formula: C12H18N2O6 MolecularWeight: 286.28112

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-])O

Isomeric SMILES

CC(CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-])O

InChI

InChI=1S/C12H18N2O6/c1-8(16)5-13-11-4-10(20-7-9(17)6-15)2-3-12(11)14(18)19/h2-4,8-9,13,15-17H,5-7H2,1H3