4-oxidanylidene-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoate

Systemtic Name: 4-oxidanylidene-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoate Openeye Name: 4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoate CAS Name: 4-oxo-4-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazinyl]-2-butenoate IUPAC Name: 4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoate Traditional Name: 4-keto-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazino]but-2-enoate Formula: C13H12F3N4O3- MolecularWeight: 329.25459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=N2)C(F)(F)F)C(=O)C=CC(=O)[O-]

InChI

InChI=1S/C13H13F3N4O3/c14-13(15,16)9-3-4-17-12(18-9)20-7-5-19(6-8-20)10(21)1-2-11(22)23/h1-4H,5-8H2,(H,22,23)/p-1