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

Systemtic Name: [(2S)-1-methoxy-3-[(4-nitrophenyl)carbamoylamino]-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-methoxy-1-[[(4-nitrophenyl)carbamoylamino]methyl]-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-methoxy-3-[[(4-nitroanilino)-oxomethyl]amino]-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-methoxy-3-[(4-nitrophenyl)carbamoylamino]-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-keto-2-methoxy-1-[[(4-nitrophenyl)carbamoylamino]methyl]ethyl]ammonium chloride Formula: C11H15ClN4O5 MolecularWeight: 318.7136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O5.ClH/c1-20-10(16)9(12)6-13-11(17)14-7-2-4-8(5-3-7)15(18)19;/h2-5,9H,6,12H2,1H3,(H2,13,14,17);1H/t9-;/m0./s1