[(2S)-1-methoxy-3-[(4-nitrophenyl)carbamoyloxy]-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-methoxy-3-[(4-nitrophenyl)carbamoyloxy]-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-methoxy-1-[(4-nitrophenyl)carbamoyloxymethyl]-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-methoxy-3-[(4-nitroanilino)-oxomethoxy]-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-methoxy-3-[(4-nitrophenyl)carbamoyloxy]-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-keto-2-methoxy-1-[(4-nitrophenyl)carbamoyloxymethyl]ethyl]ammonium chloride Formula: C11H14ClN3O6 MolecularWeight: 319.69836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH3+].[Cl-]

Isomeric SMILES

COC(=O)[C@H](COC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH3+].[Cl-]

InChI

InChI=1S/C11H13N3O6.ClH/c1-19-10(15)9(12)6-20-11(16)13-7-2-4-8(5-3-7)14(17)18;/h2-5,9H,6,12H2,1H3,(H,13,16);1H/t9-;/m0./s1