4-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide

Systemtic Name: 4-azanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide Openeye Name: 4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide CAS Name: 4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide IUPAC Name: 4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide Traditional Name: 4-amino-N-homoveratryl-2-oxido-furazan-2-ium-3-carboxamide Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=[N+](ON=C2N)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=[N+](ON=C2N)[O-])OC

InChI

InChI=1S/C13H16N4O5/c1-20-9-4-3-8(7-10(9)21-2)5-6-15-13(18)11-12(14)16-22-17(11)19/h3-4,7H,5-6H2,1-2H3,(H2,14,16)(H,15,18)