methyl 3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate

Systemtic Name: methyl 3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate Openeye Name: methyl 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate CAS Name: 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate Traditional Name: 5-keto-1-[4-(trifluoromethyl)phenyl]-3-pyrazoline-3-carboxylic acid methyl ester Formula: C12H9F3N2O3 MolecularWeight: 286.20667

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3/c1-20-11(19)9-6-10(18)17(16-9)8-4-2-7(3-5-8)12(13,14)15/h2-6,16H,1H3