(4E)-4-[(pyridin-3-ylmethylamino)methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one

Systemtic Name: (4E)-4-[(pyridin-3-ylmethylamino)methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one Openeye Name: (4E)-4-[(3-pyridylmethylamino)methylene]-3-(trifluoromethyl)-1H-pyrazol-5-one CAS Name: (4E)-4-[(3-pyridinylmethylamino)methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one IUPAC Name: (4E)-4-[(pyridin-3-ylmethylamino)methylidene]-3-(trifluoromethyl)-1H-pyrazol-5-one Traditional Name: (4E)-4-[(3-pyridylmethylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C11H9F3N4O MolecularWeight: 270.21057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC=C2C(=NNC2=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CN/C=C/2\C(=NNC2=O)C(F)(F)F

InChI

InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)18-17-9)6-16-5-7-2-1-3-15-4-7/h1-4,6,16H,5H2,(H,18,19)/b8-6+