4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate

Systemtic Name: 4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Openeye Name: 4-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate CAS Name: 4-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)-2-pyrimidinolate IUPAC Name: 4-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Traditional Name: 4-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate Formula: C13H6ClF3N3O3- MolecularWeight: 344.65325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=CC2=CC(=NC(=N2)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])/C=C/C2=CC(=NC(=N2)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C13H7ClF3N3O3/c14-10-4-3-9(20(22)23)5-7(10)1-2-8-6-11(13(15,16)17)19-12(21)18-8/h1-6H,(H,18,19,21)/p-1/b2-1+