ethyl 2-[(5-methyl-3-nitro-pyrazol-1-yl)methylsulfonyl]ethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)CN1C(=CC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CS(=O)(=O)CN1C(=CC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C9H13N3O6S/c1-3-18-9(13)5-19(16,17)6-11-7(2)4-8(10-11)12(14)15/h4H,3,5-6H2,1-2H3