3-(hydroxymethyl)-5-oxidanylidene-N-(phenylmethyl)-2H-1,2,5-oxadiazol-5-ium-4-carboxamide

Systemtic Name: 3-(hydroxymethyl)-5-oxidanylidene-N-(phenylmethyl)-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Openeye Name: N-benzyl-3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide CAS Name: 3-(hydroxymethyl)-5-oxo-N-(phenylmethyl)-2H-1,2,5-oxadiazol-5-ium-4-carboxamide IUPAC Name: N-benzyl-3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Traditional Name: N-benzyl-5-keto-3-methylol-2H-furazan-5-ium-4-carboxamide Formula: C11H12N3O4+ MolecularWeight: 250.23068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c15-7-9-10(14(17)18-13-9)11(16)12-6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H-,12,13,16,17)/p+1