2-[[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyl)-2-nitro-phenyl]amino]ethanol

Systemtic Name: 2-[[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyl)-2-nitro-phenyl]amino]ethanol Openeye Name: 2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyl)-2-nitro-anilino]ethanol CAS Name: 2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylthio)-2-nitroanilino]ethanol IUPAC Name: 2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylsulfanyl)-2-nitroanilino]ethanol Traditional Name: 2-[3-(2-hydroxyethylamino)-5-(2-hydroxyethylthio)-2-nitro-anilino]ethanol Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1NCCO)[N+](=O)[O-])NCCO)SCCO

Isomeric SMILES

C1=C(C=C(C(=C1NCCO)[N+](=O)[O-])NCCO)SCCO

InChI

InChI=1S/C12H19N3O5S/c16-3-1-13-10-7-9(21-6-5-18)8-11(14-2-4-17)12(10)15(19)20/h7-8,13-14,16-18H,1-6H2