4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-nitro-benzenecarbonitrile

Systemtic Name: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-nitro-benzenecarbonitrile Openeye Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-nitro-benzonitrile CAS Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-nitrobenzonitrile IUPAC Name: 4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-nitrobenzonitrile Traditional Name: 4-[2,4-diketo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-nitro-benzonitrile Formula: C12H5F3N4O4 MolecularWeight: 326.18771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C=C(NC2=O)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C=C(NC2=O)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H5F3N4O4/c13-12(14,15)9-4-10(20)18(11(21)17-9)7-2-1-6(5-16)8(3-7)19(22)23/h1-4H,(H,17,21)