3-(5-methoxycarbonyl-1,2,4-triazol-3-ylidene)-2H-1,2,3,4-oxatriazol-3-ium-5-olate

Systemtic Name: 3-(5-methoxycarbonyl-1,2,4-triazol-3-ylidene)-2H-1,2,3,4-oxatriazol-3-ium-5-olate Openeye Name: 3-(5-methoxycarbonyl-1,2,4-triazol-3-ylidene)-2H-oxatriazol-3-ium-5-olate CAS Name: 3-(5-methoxycarbonyl-1,2,4-triazol-3-ylidene)-2H-oxatriazol-3-ium-5-olate IUPAC Name: 3-(5-methoxycarbonyl-1,2,4-triazol-3-ylidene)-2H-oxatriazol-3-ium-5-olate Traditional Name: 3-(5-carbomethoxy-1,2,4-triazol-3-ylidene)-2H-oxatriazol-3-ium-5-olate Formula: C5H4N6O4 MolecularWeight: 212.12306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=[N+]2NOC(=N2)[O-])N=N1

Isomeric SMILES

COC(=O)C1=NC(=[N+]2NOC(=N2)[O-])N=N1

InChI

InChI=1S/C5H4N6O4/c1-14-3(12)2-6-4(8-7-2)11-9-5(13)15-10-11/h1H3,(H-,6,7,8,9,10,12,13)