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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)-5-oxidanylidene-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)-5-oxo-2H-1,2,5-oxadiazol-5-ium-4-carboxamide Traditional Name: N-homoveratryl-5-keto-3-methylol-2H-furazan-5-ium-4-carboxamide Formula: C14H18N3O6+ MolecularWeight: 324.30922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(NO[N+]2=O)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(NO[N+]2=O)CO)OC

InChI

InChI=1S/C14H17N3O6/c1-21-11-4-3-9(7-12(11)22-2)5-6-15-14(19)13-10(8-18)16-23-17(13)20/h3-4,7,18H,5-6,8H2,1-2H3,(H-,15,16,19,20)/p+1