5-[bis(fluoranyl)methyl]-3-(3-methoxy-4-nitro-phenoxy)-1,4-dimethyl-pyrazole

Systemtic Name: 5-[bis(fluoranyl)methyl]-3-(3-methoxy-4-nitro-phenoxy)-1,4-dimethyl-pyrazole Openeye Name: 5-(difluoromethyl)-3-(3-methoxy-4-nitro-phenoxy)-1,4-dimethyl-pyrazole CAS Name: 5-(difluoromethyl)-3-(3-methoxy-4-nitrophenoxy)-1,4-dimethylpyrazole IUPAC Name: 5-(difluoromethyl)-3-(3-methoxy-4-nitrophenoxy)-1,4-dimethylpyrazole Traditional Name: 5-(difluoromethyl)-3-(3-methoxy-4-nitro-phenoxy)-1,4-dimethyl-pyrazole Formula: C13H13F2N3O4 MolecularWeight: 313.256826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1OC2=CC(=C(C=C2)[N+](=O)[O-])OC)C)C(F)F

Isomeric SMILES

CC1=C(N(N=C1OC2=CC(=C(C=C2)[N+](=O)[O-])OC)C)C(F)F

InChI

InChI=1S/C13H13F2N3O4/c1-7-11(12(14)15)17(2)16-13(7)22-8-4-5-9(18(19)20)10(6-8)21-3/h4-6,12H,1-3H3