methyl 3-(3-cyanophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-(3-cyanophenyl)-5-(trifluoromethyl)isoxazole-4-carboxylate CAS Name: 3-(3-cyanophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxylate Traditional Name: 3-(3-cyanophenyl)-5-(trifluoromethyl)isoxazole-4-carboxylic acid methyl ester Formula: C13H7F3N2O3 MolecularWeight: 296.20149

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON=C1C2=CC=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(ON=C1C2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C13H7F3N2O3/c1-20-12(19)9-10(18-21-11(9)13(14,15)16)8-4-2-3-7(5-8)6-17/h2-5H,1H3