3-[[6-ethyl-3-(2-hydroxyethylamino)-2-nitro-phenyl]amino]propane-1,2-diol

Systemtic Name: 3-[[6-ethyl-3-(2-hydroxyethylamino)-2-nitro-phenyl]amino]propane-1,2-diol Openeye Name: 3-[6-ethyl-3-(2-hydroxyethylamino)-2-nitro-anilino]propane-1,2-diol CAS Name: 3-[6-ethyl-3-(2-hydroxyethylamino)-2-nitroanilino]propane-1,2-diol IUPAC Name: 3-[6-ethyl-3-(2-hydroxyethylamino)-2-nitroanilino]propane-1,2-diol Traditional Name: 3-[6-ethyl-3-(2-hydroxyethylamino)-2-nitro-anilino]propane-1,2-diol Formula: C13H21N3O5 MolecularWeight: 299.32294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)NCCO)[N+](=O)[O-])NCC(CO)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)NCCO)[N+](=O)[O-])NCC(CO)O

InChI

InChI=1S/C13H21N3O5/c1-2-9-3-4-11(14-5-6-17)13(16(20)21)12(9)15-7-10(19)8-18/h3-4,10,14-15,17-19H,2,5-8H2,1H3