(4-nitrophenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate

Systemtic Name: (4-nitrophenyl) 5-chloranyl-1,3-dimethyl-pyrazole-4-sulfonate Openeye Name: (4-nitrophenyl) 5-chloro-1,3-dimethyl-pyrazole-4-sulfonate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-chloro-1,3-dimethylpyrazole-4-sulfonate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-sulfonic acid (4-nitrophenyl) ester Formula: C11H10ClN3O5S MolecularWeight: 331.7322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C11H10ClN3O5S/c1-7-10(11(12)14(2)13-7)21(18,19)20-9-5-3-8(4-6-9)15(16)17/h3-6H,1-2H3