(E)-3-(2-pyridin-4-ylpyrimidin-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-pyridin-4-ylpyrimidin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-[2-(4-pyridyl)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-(2-pyridin-4-yl-5-pyrimidinyl)-2-propenoic acid IUPAC Name: (E)-3-(2-pyridin-4-ylpyrimidin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[2-(4-pyridyl)pyrimidin-5-yl]acrylic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1=CN=CC=C1C2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C12H9N3O2/c16-11(17)2-1-9-7-14-12(15-8-9)10-3-5-13-6-4-10/h1-8H,(H,16,17)/b2-1+