(6-methyl-2-nitro-pyridin-3-yl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate

Systemtic Name: (6-methyl-2-nitro-pyridin-3-yl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: (6-methyl-2-nitro-3-pyridyl) 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonic acid (6-methyl-2-nitro-3-pyridinyl) ester IUPAC Name: (6-methyl-2-nitropyridin-3-yl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonic acid (6-methyl-2-nitro-3-pyridyl) ester Formula: C11H11ClN4O5S MolecularWeight: 346.74684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OS(=O)(=O)C2=C(N(N=C2C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OS(=O)(=O)C2=C(N(N=C2C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H11ClN4O5S/c1-6-4-5-8(11(13-6)16(17)18)21-22(19,20)9-7(2)14-15(3)10(9)12/h4-5H,1-3H3