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

Systemtic Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]ethanone Openeye Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]ethanone CAS Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-4-pyrazolyl]ethanone IUPAC Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazol-4-yl]ethanone Traditional Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]ethanone Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C13H13N3O5S/c1-8-13(10(3)17)9(2)15(14-8)22(20,21)12-6-4-5-11(7-12)16(18)19/h4-7H,1-3H3