5,7-bis[bis(fluoranyl)methyl]-3-nitro-pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 5,7-bis[bis(fluoranyl)methyl]-3-nitro-pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 5,7-bis(difluoromethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 5,7-bis(difluoromethyl)-3-nitro-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 5,7-bis(difluoromethyl)-3-nitropyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 5,7-bis(difluoromethyl)-3-nitro-pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C9H3F4N4O4- MolecularWeight: 307.138133

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N2C(=C(C(=N2)C(=O)[O-])[N+](=O)[O-])N=C1C(F)F)C(F)F

Isomeric SMILES

C1=C(N2C(=C(C(=N2)C(=O)[O-])[N+](=O)[O-])N=C1C(F)F)C(F)F

InChI

InChI=1S/C9H4F4N4O4/c10-6(11)2-1-3(7(12)13)16-8(14-2)5(17(20)21)4(15-16)9(18)19/h1,6-7H,(H,18,19)/p-1