(E)-3-[2-(3-chlorophenyl)pyrimidin-5-yl]prop-2-enoate

Systemtic Name: (E)-3-[2-(3-chlorophenyl)pyrimidin-5-yl]prop-2-enoate Openeye Name: (E)-3-[2-(3-chlorophenyl)pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[2-(3-chlorophenyl)-5-pyrimidinyl]-2-propenoate IUPAC Name: (E)-3-[2-(3-chlorophenyl)pyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[2-(3-chlorophenyl)pyrimidin-5-yl]acrylate Formula: C13H8ClN2O2- MolecularWeight: 259.66782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC=C(C=N2)C=CC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC=C(C=N2)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H9ClN2O2/c14-11-3-1-2-10(6-11)13-15-7-9(8-16-13)4-5-12(17)18/h1-8H,(H,17,18)/p-1/b5-4+