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

Systemtic Name: methyl 2-[[5-oxidanylidene-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]ethanoate Openeye Name: methyl 2-[[5-oxo-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]acetate CAS Name: 2-[[5-oxo-1-phenyl-3-(trifluoromethyl)-4-pyrazolylidene]methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-oxo-1-phenyl-3-(trifluoromethyl)pyrazol-4-ylidene]methylamino]acetate Traditional Name: 2-[[5-keto-1-phenyl-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methylamino]acetic acid methyl ester Formula: C14H12F3N3O3 MolecularWeight: 327.25859

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC=C1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)CNC=C1C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F

InChI

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