2,2,2-tris(chloranyl)ethyl 3-nitro-1,2,4-triazole-1-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 3-nitro-1,2,4-triazole-1-carboxylate Openeye Name: 2,2,2-trichloroethyl 3-nitro-1,2,4-triazole-1-carboxylate CAS Name: 3-nitro-1,2,4-triazole-1-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 3-nitro-1,2,4-triazole-1-carboxylate Traditional Name: 3-nitro-1,2,4-triazole-1-carboxylic acid 2,2,2-trichloroethyl ester Formula: C5H3Cl3N4O4 MolecularWeight: 289.46072

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1C(=O)OCC(Cl)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1C(=O)OCC(Cl)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C5H3Cl3N4O4/c6-5(7,8)1-16-4(13)11-2-9-3(10-11)12(14)15/h2H,1H2