4-nitro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenolate

Systemtic Name: 4-nitro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenolate Openeye Name: 4-nitro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenolate CAS Name: 4-nitro-2-[2-phenyl-6-(trifluoromethyl)-4-pyrimidinyl]phenolate IUPAC Name: 4-nitro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenolate Traditional Name: 4-nitro-2-[2-phenyl-6-(trifluoromethyl)pyrimidin-4-yl]phenolate Formula: C17H9F3N3O3- MolecularWeight: 360.26687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC(=N2)C(F)(F)F)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H10F3N3O3/c18-17(19,20)15-9-13(12-8-11(23(25)26)6-7-14(12)24)21-16(22-15)10-4-2-1-3-5-10/h1-9,24H/p-1