2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-propan-2-ylphenyl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-propan-2-ylphenyl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-isopropylphenyl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-propan-2-ylphenyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-propan-2-ylphenyl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-p-cumenyl-ethanone Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3/c1-10(2)13-5-7-14(8-6-13)15(20)9-18-12(4)16(19(21)22)11(3)17-18/h5-8,10H,9H2,1-4H3