2-(5-chloranyl-1,2,4-oxadiazol-3-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione

Systemtic Name: 2-(5-chloranyl-1,2,4-oxadiazol-3-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione Openeye Name: 2-(5-chloro-1,2,4-oxadiazol-3-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione CAS Name: 2-(5-chloro-1,2,4-oxadiazol-3-yl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione IUPAC Name: 2-(5-chloro-1,2,4-oxadiazol-3-yl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione Traditional Name: 2-(5-chloro-1,2,4-oxadiazol-3-yl)-1-(4-mesyl-2-nitro-phenyl)butane-1,3-dione Formula: C13H10ClN3O7S MolecularWeight: 387.7524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NOC(=N1)Cl)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NOC(=N1)Cl)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H10ClN3O7S/c1-6(18)10(12-15-13(14)24-16-12)11(19)8-4-3-7(25(2,22)23)5-9(8)17(20)21/h3-5,10H,1-2H3