2-(3,5-dinitrophenyl)carbonyloxyethyl-dimethyl-azanium chloride

Systemtic Name: 2-(3,5-dinitrophenyl)carbonyloxyethyl-dimethyl-azanium chloride Openeye Name: 2-(3,5-dinitrobenzoyl)oxyethyl-dimethyl-ammonium chloride CAS Name: 2-[(3,5-dinitrophenyl)-oxomethoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-(3,5-dinitrobenzoyl)oxyethyl-dimethylazanium chloride Traditional Name: 2-(3,5-dinitrobenzoyl)oxyethyl-dimethyl-ammonium chloride Formula: C11H14ClN3O6 MolecularWeight: 319.69836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O6.ClH/c1-12(2)3-4-20-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19;/h5-7H,3-4H2,1-2H3;1H