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

Systemtic Name: 2-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-3-nitro-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[5-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-3-nitro-5-(trifluoromethyl)benzonitrile CAS Name: 2-[5-methyl-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-3-nitro-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[5-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-3-nitro-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[6-keto-5-methyl-4-(trifluoromethyl)pyrimidin-1-yl]-3-nitro-5-(trifluoromethyl)benzonitrile Formula: C14H6F6N4O3 MolecularWeight: 392.212859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN(C1=O)C2=C(C=C(C=C2C#N)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=C(N=CN(C1=O)C2=C(C=C(C=C2C#N)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H6F6N4O3/c1-6-11(14(18,19)20)22-5-23(12(6)25)10-7(4-21)2-8(13(15,16)17)3-9(10)24(26)27/h2-3,5H,1H3