2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione

Systemtic Name: 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione Openeye Name: 2-(4,5-dimethyloxazol-2-yl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione CAS Name: 2-(4,5-dimethyl-2-oxazolyl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione IUPAC Name: 2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione Traditional Name: 2-(4,5-dimethyloxazol-2-yl)-1-(4-mesyl-2-nitro-phenyl)butane-1,3-dione Formula: C16H16N2O7S MolecularWeight: 380.37244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)C(C(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(OC(=N1)C(C(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N2O7S/c1-8-10(3)25-16(17-8)14(9(2)19)15(20)12-6-5-11(26(4,23)24)7-13(12)18(21)22/h5-7,14H,1-4H3