5-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylic acid Openeye Name: 5-methyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid CAS Name: 5-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-methyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-methyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid Formula: C13H7F3N2O6 MolecularWeight: 344.19969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C(=O)O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H7F3N2O6/c1-5-9(10(12(20)21)17-24-5)11(19)7-3-2-6(13(14,15)16)4-8(7)18(22)23/h2-4H,1H3,(H,20,21)