2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-nitrophenyl)propane-1,3-diol

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-nitrophenyl)propane-1,3-diol Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-nitrophenyl)propane-1,3-diol CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-nitrophenyl)propane-1,3-diol IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-nitrophenyl)propane-1,3-diol Traditional Name: 1-(4-nitrophenyl)-2-(piperonylamino)propane-1,3-diol Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O6/c20-9-14(17(21)12-2-4-13(5-3-12)19(22)23)18-8-11-1-6-15-16(7-11)25-10-24-15/h1-7,14,17-18,20-21H,8-10H2