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

Systemtic Name: 4-ethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-5H-1,2-oxazole-3-carboxylic acid Openeye Name: 4-ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-5H-isoxazole-3-carboxylic acid CAS Name: 4-ethyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-5H-isoxazole-3-carboxylic acid IUPAC Name: 4-ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-5H-1,2-oxazole-3-carboxylic acid Traditional Name: 4-ethyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-2-isoxazoline-3-carboxylic acid Formula: C14H11F3N2O6 MolecularWeight: 360.24215

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CON=C1C(=O)O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1(CON=C1C(=O)O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H11F3N2O6/c1-2-13(6-25-18-10(13)12(21)22)11(20)8-4-3-7(14(15,16)17)5-9(8)19(23)24/h3-5H,2,6H2,1H3,(H,21,22)