(E)-3-[2-(4-chlorophenyl)pyrimidin-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(4-chlorophenyl)pyrimidin-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-chlorophenyl)pyrimidin-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-chlorophenyl)-4-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-chlorophenyl)pyrimidin-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-chlorophenyl)pyrimidin-4-yl]acrylic acid Formula: C13H9ClN2O2 MolecularWeight: 260.67576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O2/c14-10-3-1-9(2-4-10)13-15-8-7-11(16-13)5-6-12(17)18/h1-8H,(H,17,18)/b6-5+