[4,4-dimethyl-5-(2-nitrophenyl)-2-oxidanyl-3-oxidanylidene-pentanoyl]-oxidanylidene-azanium chloride

Systemtic Name: [4,4-dimethyl-5-(2-nitrophenyl)-2-oxidanyl-3-oxidanylidene-pentanoyl]-oxidanylidene-azanium chloride Openeye Name: [2-hydroxy-4,4-dimethyl-5-(2-nitrophenyl)-3-oxo-pentanoyl]-oxo-ammonium chloride CAS Name: [2-hydroxy-4,4-dimethyl-5-(2-nitrophenyl)-1,3-dioxopentyl]-oxoammonium chloride IUPAC Name: [2-hydroxy-4,4-dimethyl-5-(2-nitrophenyl)-3-oxopentanoyl]-oxoazanium chloride Traditional Name: [2-hydroxy-3-keto-4,4-dimethyl-5-(2-nitrophenyl)pentanoyl]-keto-ammonium chloride Formula: C13H15ClN2O6 MolecularWeight: 330.721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C(C(=O)[NH+]=O)O.[Cl-]

Isomeric SMILES

CC(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C(C(=O)[NH+]=O)O.[Cl-]

InChI

InChI=1S/C13H14N2O6.ClH/c1-13(2,11(17)10(16)12(18)14-19)7-8-5-3-4-6-9(8)15(20)21;/h3-6,10,16H,7H2,1-2H3;1H