4-[5-[bis(fluoranyl)methoxy]-4-chloranyl-1-methyl-pyrazol-3-yl]-2-nitro-benzenecarbonitrile

Systemtic Name: 4-[5-[bis(fluoranyl)methoxy]-4-chloranyl-1-methyl-pyrazol-3-yl]-2-nitro-benzenecarbonitrile Openeye Name: 4-[4-chloro-5-(difluoromethoxy)-1-methyl-pyrazol-3-yl]-2-nitro-benzonitrile CAS Name: 4-[4-chloro-5-(difluoromethoxy)-1-methyl-3-pyrazolyl]-2-nitrobenzonitrile IUPAC Name: 4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-nitrobenzonitrile Traditional Name: 4-[4-chloro-5-(difluoromethoxy)-1-methyl-pyrazol-3-yl]-2-nitro-benzonitrile Formula: C12H7ClF2N4O3 MolecularWeight: 328.658786

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=C(C=C2)C#N)[N+](=O)[O-])Cl)OC(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=C(C=C2)C#N)[N+](=O)[O-])Cl)OC(F)F

InChI

InChI=1S/C12H7ClF2N4O3/c1-18-11(22-12(14)15)9(13)10(17-18)6-2-3-7(5-16)8(4-6)19(20)21/h2-4,12H,1H3