3-(hydroxymethyl)-5-oxidanylidene-N-[(1S)-1-phenylethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide

Systemtic Name: 3-(hydroxymethyl)-5-oxidanylidene-N-[(1S)-1-phenylethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Openeye Name: 3-(hydroxymethyl)-5-oxo-N-[(1S)-1-phenylethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide CAS Name: 3-(hydroxymethyl)-5-oxo-N-[(1S)-1-phenylethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide IUPAC Name: 3-(hydroxymethyl)-5-oxo-N-[(1S)-1-phenylethyl]-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Traditional Name: 5-keto-3-methylol-N-[(1S)-1-phenylethyl]-2H-furazan-5-ium-4-carboxamide Formula: C12H14N3O4+ MolecularWeight: 264.25726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(NO[N+]2=O)CO

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(NO[N+]2=O)CO

InChI

InChI=1S/C12H13N3O4/c1-8(9-5-3-2-4-6-9)13-12(17)11-10(7-16)14-19-15(11)18/h2-6,8,16H,7H2,1H3,(H-,13,14,17,18)/p+1/t8-/m0/s1