methyl 2-[3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethanoate Openeye Name: methyl 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]acetate CAS Name: 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]acetate Traditional Name: 2-[5-keto-1-[4-(trifluoromethyl)phenyl]-3-pyrazolin-3-yl]acetic acid methyl ester Formula: C13H11F3N2O3 MolecularWeight: 300.23325

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CC1=CC(=O)N(N1)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O3/c1-21-12(20)7-9-6-11(19)18(17-9)10-4-2-8(3-5-10)13(14,15)16/h2-6,17H,7H2,1H3