2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[2,4-di(propan-2-yl)phenyl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[2,4-di(propan-2-yl)phenyl]ethanone Openeye Name: 1-(2,4-diisopropylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[2,4-di(propan-2-yl)phenyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[2,4-di(propan-2-yl)phenyl]ethanone Traditional Name: 1-(2,4-diisopropylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C19H25N3O3 MolecularWeight: 343.4201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=C(C=C(C=C2)C(C)C)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=C(C=C(C=C2)C(C)C)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O3/c1-11(2)15-7-8-16(17(9-15)12(3)4)18(23)10-21-14(6)19(22(24)25)13(5)20-21/h7-9,11-12H,10H2,1-6H3