3-[(5S)-3-(3-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[(5S)-3-(3-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[(5S)-5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxo-propanenitrile CAS Name: 3-[(5S)-5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile IUPAC Name: 3-[(5S)-5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-oxopropanenitrile Traditional Name: 3-[(5S)-5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-3-keto-propionitrile Formula: C14H12F3N3O3 MolecularWeight: 327.25859

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(C2)(C(F)(F)F)O)C(=O)CC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN([C@](C2)(C(F)(F)F)O)C(=O)CC#N

InChI

InChI=1S/C14H12F3N3O3/c1-23-10-4-2-3-9(7-10)11-8-13(22,14(15,16)17)20(19-11)12(21)5-6-18/h2-4,7,22H,5,8H2,1H3/t13-/m0/s1