4-(2-hydroxyethyl)-1-(4-methoxy-2-nitro-phenyl)sulfonyl-5-methyl-pyrazol-3-olate

Systemtic Name: 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitro-phenyl)sulfonyl-5-methyl-pyrazol-3-olate Openeye Name: 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitro-phenyl)sulfonyl-5-methyl-pyrazol-3-olate CAS Name: 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitrophenyl)sulfonyl-5-methyl-3-pyrazololate IUPAC Name: 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitrophenyl)sulfonyl-5-methylpyrazol-3-olate Traditional Name: 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitro-phenyl)sulfonyl-5-methyl-pyrazol-3-olate Formula: C13H14N3O7S- MolecularWeight: 356.33116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7S/c1-8-10(5-6-17)13(18)14-15(8)24(21,22)12-4-3-9(23-2)7-11(12)16(19)20/h3-4,7,17H,5-6H2,1-2H3,(H,14,18)/p-1