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

Systemtic Name: [(2S)-3-[(4-nitrophenyl)carbamoylamino]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-hydroxy-1-[[(4-nitrophenyl)carbamoylamino]methyl]-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-hydroxy-3-[[(4-nitroanilino)-oxomethyl]amino]-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-hydroxy-3-[(4-nitrophenyl)carbamoylamino]-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-hydroxy-2-keto-1-[[(4-nitrophenyl)carbamoylamino]methyl]ethyl]ammonium chloride Formula: C10H13ClN4O5 MolecularWeight: 304.68702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCC(C(=O)O)[NH3+])[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC[C@@H](C(=O)O)[NH3+])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C10H12N4O5.ClH/c11-8(9(15)16)5-12-10(17)13-6-1-3-7(4-2-6)14(18)19;/h1-4,8H,5,11H2,(H,15,16)(H2,12,13,17);1H/t8-;/m0./s1