2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]amino]butane-1,4-diol

Systemtic Name: 2-[[4-(2-hydroxyethylamino)-3-nitro-phenyl]amino]butane-1,4-diol Openeye Name: 2-[4-(2-hydroxyethylamino)-3-nitro-anilino]butane-1,4-diol CAS Name: 2-[4-(2-hydroxyethylamino)-3-nitroanilino]butane-1,4-diol IUPAC Name: 2-[4-(2-hydroxyethylamino)-3-nitroanilino]butane-1,4-diol Traditional Name: 2-[4-(2-hydroxyethylamino)-3-nitro-anilino]butane-1,4-diol Formula: C12H19N3O5 MolecularWeight: 285.29636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(CCO)CO)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC(=C(C=C1NC(CCO)CO)[N+](=O)[O-])NCCO

InChI

InChI=1S/C12H19N3O5/c16-5-3-10(8-18)14-9-1-2-11(13-4-6-17)12(7-9)15(19)20/h1-2,7,10,13-14,16-18H,3-6,8H2