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

Systemtic Name: 5-cyclopropyl-4-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-1,2-oxazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid CAS Name: 5-cyclopropyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-cyclopropyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-4-[2-nitro-4-(trifluoromethyl)benzoyl]isoxazole-3-carboxylic acid Formula: C15H9F3N2O6 MolecularWeight: 370.23697

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NO2)C(=O)O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=C(C(=NO2)C(=O)O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H9F3N2O6/c16-15(17,18)7-3-4-8(9(5-7)20(24)25)12(21)10-11(14(22)23)19-26-13(10)6-1-2-6/h3-6H,1-2H2,(H,22,23)