[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]ammonium chloride CAS Name: [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]azanium chloride Traditional Name: [(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl]ammonium chloride Formula: C9H12ClN3O3 MolecularWeight: 245.66288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H/t6-;/m0./s1