methyl 2,2-bis(fluoranyl)-3-(3-nitro-1,2,4-triazol-1-yl)propanoate

Systemtic Name: methyl 2,2-bis(fluoranyl)-3-(3-nitro-1,2,4-triazol-1-yl)propanoate Openeye Name: methyl 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanoate CAS Name: 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanoic acid methyl ester IUPAC Name: methyl 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propanoate Traditional Name: 2,2-difluoro-3-(3-nitro-1,2,4-triazol-1-yl)propionic acid methyl ester Formula: C6H6F2N4O4 MolecularWeight: 236.133046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CN1C=NC(=N1)[N+](=O)[O-])(F)F

Isomeric SMILES

COC(=O)C(CN1C=NC(=N1)[N+](=O)[O-])(F)F

InChI

InChI=1S/C6H6F2N4O4/c1-16-4(13)6(7,8)2-11-3-9-5(10-11)12(14)15/h3H,2H2,1H3