[(2S,3R)-1-methoxy-3-(3-nitrophenyl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S,3R)-1-methoxy-3-(3-nitrophenyl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-[(R)-hydroxy-(3-nitrophenyl)methyl]-2-methoxy-2-oxo-ethyl]ammonium chloride CAS Name: [(1R,2S)-1-hydroxy-3-methoxy-1-(3-nitrophenyl)-3-oxopropan-2-yl]ammonium chloride IUPAC Name: [(1R,2S)-1-hydroxy-3-methoxy-1-(3-nitrophenyl)-3-oxopropan-2-yl]azanium chloride Traditional Name: [(1S,2R)-1-carbomethoxy-2-hydroxy-2-(3-nitrophenyl)ethyl]ammonium chloride Formula: C10H13ClN2O5 MolecularWeight: 276.67362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]([C@@H](C1=CC(=CC=C1)[N+](=O)[O-])O)[NH3+].[Cl-]

InChI

InChI=1S/C10H12N2O5.ClH/c1-17-10(14)8(11)9(13)6-3-2-4-7(5-6)12(15)16;/h2-5,8-9,13H,11H2,1H3;1H/t8-,9+;/m0./s1