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

Systemtic Name: 4-(2-hydroxyethyl)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-3-methyl-1H-pyrazol-5-one Openeye Name: 4-(2-hydroxyethyl)-2-(4-methoxy-2-nitro-phenyl)sulfonyl-3-methyl-1H-pyrazol-5-one CAS Name: 4-(2-hydroxyethyl)-2-(4-methoxy-2-nitrophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one IUPAC Name: 4-(2-hydroxyethyl)-2-(4-methoxy-2-nitrophenyl)sulfonyl-3-methyl-1H-pyrazol-5-one Traditional Name: 4-(2-hydroxyethyl)-1-(4-methoxy-2-nitro-phenyl)sulfonyl-5-methyl-3-pyrazolin-3-one Formula: C13H15N3O7S MolecularWeight: 357.3391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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