4-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 4-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: 4-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: 4-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: 4-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: 4-[(3S)-4-cyano-2-keto-5-methyl-3-(trifluoromethyl)-2-pyrrolin-3-yl]-5-methyl-2-phenyl-pyrazol-3-olate Formula: C17H12F3N4O2- MolecularWeight: 361.29799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C2=C(N(N=C2C)C3=CC=CC=C3)[O-])C(F)(F)F)C#N

Isomeric SMILES

CC1=C([C@@](C(=O)N1)(C2=C(N(N=C2C)C3=CC=CC=C3)[O-])C(F)(F)F)C#N

InChI

InChI=1S/C17H13F3N4O2/c1-9-12(8-21)16(15(26)22-9,17(18,19)20)13-10(2)23-24(14(13)25)11-6-4-3-5-7-11/h3-7,25H,1-2H3,(H,22,26)/p-1/t16-/m0/s1