sodium 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-pyrazol-3-olate

Systemtic Name: sodium 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-pyrazol-3-olate Openeye Name: sodium 4-[3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoyl]-2-methyl-pyrazol-3-olate CAS Name: sodium 4-[[3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonylphenyl]-oxomethyl]-2-methyl-3-pyrazololate IUPAC Name: sodium 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methylpyrazol-3-olate Traditional Name: sodium 4-[3-(2-isoxazolin-3-yl)-4-mesyl-2-methyl-benzoyl]-2-methyl-pyrazol-3-olate Formula: C16H16N3NaO5S MolecularWeight: 385.37011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=C(N(N=C3)C)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)C3=C(N(N=C3)C)[O-].[Na+]

InChI

InChI=1S/C16H17N3O5S.Na/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12;/h4-5,8,21H,6-7H2,1-3H3;/q;+1/p-1