4-nitro-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 4-nitro-2-[2,4,6-tris(chloranyl)phenyl]-1H-pyrazol-3-one Openeye Name: 4-nitro-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one CAS Name: 4-nitro-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one IUPAC Name: 4-nitro-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one Traditional Name: 4-nitro-2-(2,4,6-trichlorophenyl)-3-pyrazolin-3-one Formula: C9H4Cl3N3O3 MolecularWeight: 308.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=O)C(=CN2)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=O)C(=CN2)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C9H4Cl3N3O3/c10-4-1-5(11)8(6(12)2-4)14-9(16)7(3-13-14)15(17)18/h1-3,13H