methyl 2-(5-oxidanylidene-3-phenethyl-2H-1,2,3-oxadiazol-3-ium-4-yl)ethanoate

Systemtic Name: methyl 2-(5-oxidanylidene-3-phenethyl-2H-1,2,3-oxadiazol-3-ium-4-yl)ethanoate Openeye Name: methyl 2-(5-oxo-3-phenethyl-2H-oxadiazol-3-ium-4-yl)acetate CAS Name: 2-(5-oxo-3-phenethyl-2H-oxadiazol-3-ium-4-yl)acetic acid methyl ester IUPAC Name: methyl 2-(5-oxo-3-phenethyl-2H-oxadiazol-3-ium-4-yl)acetate Traditional Name: 2-(5-keto-3-phenethyl-2H-oxadiazol-3-ium-4-yl)acetic acid methyl ester Formula: C13H15N2O4+ MolecularWeight: 263.2692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=[N+](NOC1=O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=[N+](NOC1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O4/c1-18-12(16)9-11-13(17)19-14-15(11)8-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3/p+1