2-(3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-1-(3-nitrophenyl)ethanone IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c1-9-6-10(2)15(14-9)8-13(17)11-4-3-5-12(7-11)16(18)19/h3-7H,8H2,1-2H3