2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]ethanoate Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetate CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylsulfonyl]acetate IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfonyl]acetate Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetate Formula: C8H10N3O6S- MolecularWeight: 276.2465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CS(=O)(=O)CC(=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CS(=O)(=O)CC(=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O6S/c1-5-8(11(14)15)6(2)10(9-5)4-18(16,17)3-7(12)13/h3-4H2,1-2H3,(H,12,13)/p-1