3-(methoxymethyl)-4-[[[4-(trifluoromethyloxy)phenyl]amino]methylidene]-1H-pyrazol-5-one

Systemtic Name: 3-(methoxymethyl)-4-[[[4-(trifluoromethyloxy)phenyl]amino]methylidene]-1H-pyrazol-5-one Openeye Name: 3-(methoxymethyl)-4-[[4-(trifluoromethoxy)anilino]methylene]-1H-pyrazol-5-one CAS Name: 3-(methoxymethyl)-4-[[4-(trifluoromethoxy)anilino]methylidene]-1H-pyrazol-5-one IUPAC Name: 3-(methoxymethyl)-4-[[4-(trifluoromethoxy)anilino]methylidene]-1H-pyrazol-5-one Traditional Name: 5-(methoxymethyl)-4-[[4-(trifluoromethoxy)anilino]methylene]-2-pyrazolin-3-one Formula: C13H12F3N3O3 MolecularWeight: 315.24789

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NNC(=O)C1=CNC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

COCC1=NNC(=O)C1=CNC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C13H12F3N3O3/c1-21-7-11-10(12(20)19-18-11)6-17-8-2-4-9(5-3-8)22-13(14,15)16/h2-6,17H,7H2,1H3,(H,19,20)