2-ethoxy-2-oxidanylidene-ethanoate; ethyl 5-pyridin-1-ium-3-yl-1,3,4-oxadiazole-2-carboxylate

Systemtic Name: 2-ethoxy-2-oxidanylidene-ethanoate; ethyl 5-pyridin-1-ium-3-yl-1,3,4-oxadiazole-2-carboxylate Openeye Name: 2-ethoxy-2-oxo-acetate; ethyl 5-pyridin-1-ium-3-yl-1,3,4-oxadiazole-2-carboxylate CAS Name: 2-ethoxy-2-oxoacetate; 5-(3-pyridin-1-iumyl)-1,3,4-oxadiazole-2-carboxylic acid ethyl ester IUPAC Name: 2-ethoxy-2-oxoacetate; ethyl 5-pyridin-1-ium-3-yl-1,3,4-oxadiazole-2-carboxylate Traditional Name: 2-ethoxy-2-keto-acetate; 5-pyridin-1-ium-3-yl-1,3,4-oxadiazole-2-carboxylic acid ethyl ester Formula: C14H15N3O7 MolecularWeight: 337.2848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN=C(O1)C2=C[NH+]=CC=C2.CCOC(=O)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN=C(O1)C2=C[NH+]=CC=C2.CCOC(=O)C(=O)[O-]

InChI

InChI=1S/C10H9N3O3.C4H6O4/c1-2-15-10(14)9-13-12-8(16-9)7-4-3-5-11-6-7;1-2-8-4(7)3(5)6/h3-6H,2H2,1H3;2H2,1H3,(H,5,6)