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

Systemtic Name: 2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carbonitrile Openeye Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carbonitrile CAS Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carbonitrile IUPAC Name: 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-oxo-1H-pyrazole-5-carbonitrile Traditional Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-keto-3-pyrazoline-3-carbonitrile Formula: C11H4Cl2F3N3O MolecularWeight: 322.07017

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=O)C=C(N2)C#N)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=O)C=C(N2)C#N)Cl)C(F)(F)F

InChI

InChI=1S/C11H4Cl2F3N3O/c12-7-1-5(11(14,15)16)2-8(13)10(7)19-9(20)3-6(4-17)18-19/h1-3,18H