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

Systemtic Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]ethanoate Openeye Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetate CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylsulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfonyl]acetate Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfonyl]acetic acid methyl ester Formula: C9H13N3O6S MolecularWeight: 291.28102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O6S/c1-6-9(12(14)15)7(2)11(10-6)5-19(16,17)4-8(13)18-3/h4-5H2,1-3H3