3-nitro-5-pyridin-2-yl-1,6-bis(trifluoromethyl)-2H-pyrimidin-4-one

Systemtic Name: 3-nitro-5-pyridin-2-yl-1,6-bis(trifluoromethyl)-2H-pyrimidin-4-one Openeye Name: 3-nitro-5-(2-pyridyl)-1,6-bis(trifluoromethyl)-2H-pyrimidin-4-one CAS Name: 3-nitro-5-(2-pyridinyl)-1,6-bis(trifluoromethyl)-2H-pyrimidin-4-one IUPAC Name: 3-nitro-5-pyridin-2-yl-1,6-bis(trifluoromethyl)-2H-pyrimidin-4-one Traditional Name: 3-nitro-5-(2-pyridyl)-1,6-bis(trifluoromethyl)-2H-pyrimidin-4-one Formula: C11H6F6N4O3 MolecularWeight: 356.180759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=C(C(=O)N1[N+](=O)[O-])C2=CC=CC=N2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1N(C(=C(C(=O)N1[N+](=O)[O-])C2=CC=CC=N2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H6F6N4O3/c12-10(13,14)8-7(6-3-1-2-4-18-6)9(22)20(21(23)24)5-19(8)11(15,16)17/h1-4H,5H2