methyl 4-isocyanatosulfonyl-2,5-dimethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-isocyanatosulfonyl-2,5-dimethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-isocyanatosulfonyl-2,5-dimethyl-pyrazole-3-carboxylate CAS Name: 4-isocyanatosulfonyl-2,5-dimethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-isocyanatosulfonyl-2,5-dimethylpyrazole-3-carboxylate Traditional Name: 4-isocyanatosulfonyl-2,5-dimethyl-pyrazole-3-carboxylic acid methyl ester Formula: C8H9N3O5S MolecularWeight: 259.23916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N=C=O)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N=C=O)C(=O)OC)C

InChI

InChI=1S/C8H9N3O5S/c1-5-7(17(14,15)9-4-12)6(8(13)16-3)11(2)10-5/h1-3H3