(E)-2-cyclopropylcarbonyl-3-oxidanyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]prop-2-enenitrile

Systemtic Name: (E)-2-cyclopropylcarbonyl-3-oxidanyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]prop-2-enenitrile Openeye Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[[5-(trifluoromethyl)-2-pyridyl]amino]prop-2-enenitrile CAS Name: (E)-2-[cyclopropyl(oxo)methyl]-3-hydroxy-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-propenenitrile IUPAC Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]prop-2-enenitrile Traditional Name: (E)-2-(cyclopropanecarbonyl)-3-hydroxy-3-[[5-(trifluoromethyl)-2-pyridyl]amino]acrylonitrile Formula: C13H10F3N3O2 MolecularWeight: 297.23261

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(=C(NC2=NC=C(C=C2)C(F)(F)F)O)C#N

Isomeric SMILES

C1CC1C(=O)/C(=C(\NC2=NC=C(C=C2)C(F)(F)F)/O)/C#N

InChI

InChI=1S/C13H10F3N3O2/c14-13(15,16)8-3-4-10(18-6-8)19-12(21)9(5-17)11(20)7-1-2-7/h3-4,6-7,21H,1-2H2,(H,18,19)/b12-9+