[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C14H10F3N3O6 MolecularWeight: 373.24091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H10F3N3O6/c1-7-4-11(26-19-7)13(22)25-6-12(21)18-10-3-2-8(20(23)24)5-9(10)14(15,16)17/h2-5H,6H2,1H3,(H,18,21)