3-[[4-ethyl-3-(2-hydroxyethylamino)-2-nitro-phenyl]amino]propane-1,2-diol hydrochloride

Systemtic Name: 3-[[4-ethyl-3-(2-hydroxyethylamino)-2-nitro-phenyl]amino]propane-1,2-diol hydrochloride Openeye Name: 3-[4-ethyl-3-(2-hydroxyethylamino)-2-nitro-anilino]propane-1,2-diol hydrochloride CAS Name: 3-[4-ethyl-3-(2-hydroxyethylamino)-2-nitroanilino]propane-1,2-diol hydrochloride IUPAC Name: 3-[4-ethyl-3-(2-hydroxyethylamino)-2-nitroanilino]propane-1,2-diol hydrochloride Traditional Name: 3-[4-ethyl-3-(2-hydroxyethylamino)-2-nitro-anilino]propane-1,2-diol hydrochloride Formula: C13H22ClN3O5 MolecularWeight: 335.78388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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