(2-azanylidene-2-pyrazin-2-yl-ethyl) 4-(trifluoromethyl)benzoate

Systemtic Name: (2-azanylidene-2-pyrazin-2-yl-ethyl) 4-(trifluoromethyl)benzoate Openeye Name: (2-imino-2-pyrazin-2-yl-ethyl) 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-imino-2-(2-pyrazinyl)ethyl] ester IUPAC Name: (2-imino-2-pyrazin-2-ylethyl) 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid (2-imino-2-pyrazin-2-yl-ethyl) ester Formula: C14H10F3N3O2 MolecularWeight: 309.24331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=N)C2=NC=CN=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=N)C2=NC=CN=C2)C(F)(F)F

InChI

InChI=1S/C14H10F3N3O2/c15-14(16,17)10-3-1-9(2-4-10)13(21)22-8-11(18)12-7-19-5-6-20-12/h1-7,18H,8H2