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

Systemtic Name: methyl 2-[5-oxidanylidene-3-(phenylmethyl)-2H-1,2,3-oxadiazol-3-ium-4-yl]ethanoate Openeye Name: methyl 2-(3-benzyl-5-oxo-2H-oxadiazol-3-ium-4-yl)acetate CAS Name: 2-[5-oxo-3-(phenylmethyl)-2H-oxadiazol-3-ium-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-(3-benzyl-5-oxo-2H-oxadiazol-3-ium-4-yl)acetate Traditional Name: 2-(3-benzyl-5-keto-2H-oxadiazol-3-ium-4-yl)acetic acid methyl ester Formula: C12H13N2O4+ MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=[N+](NOC1=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=[N+](NOC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O4/c1-17-11(15)7-10-12(16)18-13-14(10)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/p+1