3-nitro-2-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyloxy)benzenecarbonitrile

Systemtic Name: 3-nitro-2-[6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethyloxy)benzenecarbonitrile Openeye Name: 3-nitro-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile CAS Name: 3-nitro-2-[6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-5-(trifluoromethoxy)benzonitrile IUPAC Name: 3-nitro-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-5-(trifluoromethoxy)benzonitrile Traditional Name: 2-[6-keto-4-(trifluoromethyl)pyrimidin-1-yl]-3-nitro-5-(trifluoromethoxy)benzonitrile Formula: C13H4F6N4O4 MolecularWeight: 394.185679

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC(=CC2=O)C(F)(F)F)C#N)OC(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C=NC(=CC2=O)C(F)(F)F)C#N)OC(F)(F)F

InChI

InChI=1S/C13H4F6N4O4/c14-12(15,16)9-3-10(24)22(5-21-9)11-6(4-20)1-7(27-13(17,18)19)2-8(11)23(25)26/h1-3,5H