4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate

Systemtic Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Openeye Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate CAS Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-2-pyrimidinolate IUPAC Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-olate Traditional Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-(trifluoromethyl)pyrimidin-2-olate Formula: C14H8F3N2O3- MolecularWeight: 309.22013

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=CC(=NC(=N3)[O-])C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=CC(=NC(=N3)[O-])C(F)(F)F

InChI

InChI=1S/C14H9F3N2O3/c15-14(16,17)12-6-9(18-13(20)19-12)3-1-8-2-4-10-11(5-8)22-7-21-10/h1-6H,7H2,(H,18,19,20)/p-1/b3-1+