[2-(4-nitrophenyl)-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: [2-(4-nitrophenyl)-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [4-hydroxy-2-(4-nitrophenyl)-4-oxo-butyl]ammonium chloride CAS Name: [4-hydroxy-2-(4-nitrophenyl)-4-oxobutyl]ammonium chloride IUPAC Name: [4-hydroxy-2-(4-nitrophenyl)-4-oxobutyl]azanium chloride Traditional Name: [4-hydroxy-4-keto-2-(4-nitrophenyl)butyl]ammonium chloride Formula: C10H13ClN2O4 MolecularWeight: 260.67422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)C[NH3+])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)C[NH3+])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C10H12N2O4.ClH/c11-6-8(5-10(13)14)7-1-3-9(4-2-7)12(15)16;/h1-4,8H,5-6,11H2,(H,13,14);1H