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

Systemtic Name: methyl 2-[[5-oxidanylidene-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methylamino]ethanoate Openeye Name: methyl 2-[[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methylamino]acetate CAS Name: 2-[[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methylamino]acetate Traditional Name: 2-[[3-keto-5-(trifluoromethyl)-2-pyrazolin-4-ylidene]methylamino]acetic acid methyl ester Formula: C8H8F3N3O3 MolecularWeight: 251.16263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC=C1C(=NNC1=O)C(F)(F)F

Isomeric SMILES

COC(=O)CNC=C1C(=NNC1=O)C(F)(F)F

InChI

InChI=1S/C8H8F3N3O3/c1-17-5(15)3-12-2-4-6(8(9,10)11)13-14-7(4)16/h2,12H,3H2,1H3,(H,14,16)