1-[bis(fluoranyl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[bis(fluoranyl)methyl]-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-(difluoromethyl)-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-(difluoromethyl)-N-(4-methyl-3,5-dinitro-phenyl)pyrazole-3-carboxamide Formula: C12H9F2N5O5 MolecularWeight: 341.227166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)C(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=NN(C=C2)C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H9F2N5O5/c1-6-9(18(21)22)4-7(5-10(6)19(23)24)15-11(20)8-2-3-17(16-8)12(13)14/h2-5,12H,1H3,(H,15,20)