1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-bromanyl-4-nitro-pyrazole-3-carbonitrile

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-bromanyl-4-nitro-pyrazole-3-carbonitrile Openeye Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carbonitrile CAS Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolecarbonitrile IUPAC Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazole-3-carbonitrile Traditional Name: 5-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carbonitrile Formula: C11H2BrCl2F3N4O2 MolecularWeight: 429.96439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)[N+](=O)[O-])Br)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)[N+](=O)[O-])Br)Cl)C(F)(F)F

InChI

InChI=1S/C11H2BrCl2F3N4O2/c12-10-9(21(22)23)7(3-18)19-20(10)8-5(13)1-4(2-6(8)14)11(15,16)17/h1-2H