4-ethyl-5-methyl-2-(4-nitrophenyl)sulfonyl-pyrazol-3-olate

Systemtic Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfonyl-pyrazol-3-olate Openeye Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfonyl-pyrazol-3-olate CAS Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfonyl-3-pyrazololate IUPAC Name: 4-ethyl-5-methyl-2-(4-nitrophenyl)sulfonylpyrazol-3-olate Traditional Name: 4-ethyl-5-methyl-2-nosyl-pyrazol-3-olate Formula: C12H12N3O5S- MolecularWeight: 310.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H13N3O5S/c1-3-11-8(2)13-14(12(11)16)21(19,20)10-6-4-9(5-7-10)15(17)18/h4-7,16H,3H2,1-2H3/p-1