1-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone Openeye Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone CAS Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone Traditional Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanone Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C13H13N3O3/c1-8-13(10(3)17)9(2)15(14-8)11-5-4-6-12(7-11)16(18)19/h4-7H,1-3H3