4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-pyrazol-3-olate

Systemtic Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-pyrazol-3-olate Openeye Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-pyrazol-3-olate CAS Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-3-pyrazololate IUPAC Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonylpyrazol-3-olate Traditional Name: 4-(2-hydroxyethyl)-5-methyl-1-(2-nitrophenyl)sulfonyl-pyrazol-3-olate Formula: C12H12N3O6S- MolecularWeight: 326.30518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[O-])CCO

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[O-])CCO

InChI

InChI=1S/C12H13N3O6S/c1-8-9(6-7-16)12(17)13-14(8)22(20,21)11-5-3-2-4-10(11)15(18)19/h2-5,16H,6-7H2,1H3,(H,13,17)/p-1