5-methyl-4-nitroso-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-nitroso-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-4-nitroso-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one CAS Name: 5-methyl-4-nitroso-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-nitroso-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Traditional Name: 5-methyl-4-nitroso-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C11H7F3N4O4 MolecularWeight: 316.19289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N=O

InChI

InChI=1S/C11H7F3N4O4/c1-5-9(16-20)10(19)17(15-5)7-3-2-6(11(12,13)14)4-8(7)18(21)22/h2-4,15H,1H3