4-methyl-1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)pentane-1,3-dione

Systemtic Name: 4-methyl-1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)pentane-1,3-dione Openeye Name: 4-methyl-1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,2,4-oxadiazol-5-yl)pentane-1,3-dione CAS Name: 4-methyl-1-(4-methylsulfonyl-2-nitrophenyl)-2-(1,2,4-oxadiazol-5-yl)pentane-1,3-dione IUPAC Name: 4-methyl-1-(4-methylsulfonyl-2-nitrophenyl)-2-(1,2,4-oxadiazol-5-yl)pentane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-methyl-2-(1,2,4-oxadiazol-5-yl)pentane-1,3-dione Formula: C15H15N3O7S MolecularWeight: 381.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C1=NC=NO1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)C(C1=NC=NO1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O7S/c1-8(2)13(19)12(15-16-7-17-25-15)14(20)10-5-4-9(26(3,23)24)6-11(10)18(21)22/h4-8,12H,1-3H3