3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one

Systemtic Name: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one Openeye Name: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one CAS Name: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one IUPAC Name: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one Traditional Name: 3,4-dimethyl-5-nitro-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-2-one Formula: C13H12F3N3O3 MolecularWeight: 315.24789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O3/c1-7-11(19(21)22)10(17-12(20)18(7)2)8-5-3-4-6-9(8)13(14,15)16/h3-6,10H,1-2H3,(H,17,20)