1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-11-16(20(22)23)12(2)19(18-11)10-15(21)13-6-8-14(9-7-13)17(3,4)5/h6-9H,10H2,1-5H3