4-(2-hydroxyethyl)-2,5-dimethyl-1-(4-nitrophenyl)sulfonyl-pyrazol-3-one

Systemtic Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(4-nitrophenyl)sulfonyl-pyrazol-3-one Openeye Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(4-nitrophenyl)sulfonyl-pyrazol-3-one CAS Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(4-nitrophenyl)sulfonyl-3-pyrazolone IUPAC Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(4-nitrophenyl)sulfonylpyrazol-3-one Traditional Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1-nosyl-3-pyrazolin-3-one Formula: C13H15N3O6S MolecularWeight: 341.3397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CCO

Isomeric SMILES

CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)CCO

InChI

InChI=1S/C13H15N3O6S/c1-9-12(7-8-17)13(18)14(2)15(9)23(21,22)11-5-3-10(4-6-11)16(19)20/h3-6,17H,7-8H2,1-2H3