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

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carbonitrile CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazole-3-carbonitrile Formula: C11H4Cl2F3N5O2 MolecularWeight: 366.08297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H4Cl2F3N5O2/c12-5-1-4(11(14,15)16)2-6(13)8(5)20-10(18)9(21(22)23)7(3-17)19-20/h1-2H,18H2