2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-one Traditional Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]-4-(1,2,4-triazol-1-yl)-3-pyrazolin-3-one Formula: C12H7F3N6O3 MolecularWeight: 340.21759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C(=O)C(=CN2)N3C=NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C(=O)C(=CN2)N3C=NC=N3

InChI

InChI=1S/C12H7F3N6O3/c13-12(14,15)7-1-2-8(9(3-7)21(23)24)20-11(22)10(4-17-20)19-6-16-5-18-19/h1-6,17H