2-[[3-azanyl-4-(2-methylbutyl)-2-nitro-phenyl]-oxidanyl-amino]ethanol hydrochloride

Systemtic Name: 2-[[3-azanyl-4-(2-methylbutyl)-2-nitro-phenyl]-oxidanyl-amino]ethanol hydrochloride Openeye Name: 2-[3-amino-N-hydroxy-4-(2-methylbutyl)-2-nitro-anilino]ethanol hydrochloride CAS Name: 2-[3-amino-N-hydroxy-4-(2-methylbutyl)-2-nitroanilino]ethanol hydrochloride IUPAC Name: 2-[3-amino-N-hydroxy-4-(2-methylbutyl)-2-nitroanilino]ethanol hydrochloride Traditional Name: 2-[3-amino-N-hydroxy-4-(2-methylbutyl)-2-nitro-anilino]ethanol hydrochloride Formula: C13H22ClN3O4 MolecularWeight: 319.78448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(C(=C(C=C1)N(CCO)O)[N+](=O)[O-])N.Cl

Isomeric SMILES

CCC(C)CC1=C(C(=C(C=C1)N(CCO)O)[N+](=O)[O-])N.Cl

InChI

InChI=1S/C13H21N3O4.ClH/c1-3-9(2)8-10-4-5-11(15(18)6-7-17)13(12(10)14)16(19)20;/h4-5,9,17-18H,3,6-8,14H2,1-2H3;1H