3-[4-[4,6-bis(chloranyl)pyrimidin-2-yl]phenyl]-2-cyano-propanoic acid

Systemtic Name: 3-[4-[4,6-bis(chloranyl)pyrimidin-2-yl]phenyl]-2-cyano-propanoic acid Openeye Name: 2-cyano-3-[4-(4,6-dichloropyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-cyano-3-[4-(4,6-dichloro-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-cyano-3-[4-(4,6-dichloropyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-cyano-3-[4-(4,6-dichloropyrimidin-2-yl)phenyl]propionic acid Formula: C14H9Cl2N3O2 MolecularWeight: 322.14616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C#N)C(=O)O)C2=NC(=CC(=N2)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CC(C#N)C(=O)O)C2=NC(=CC(=N2)Cl)Cl

InChI

InChI=1S/C14H9Cl2N3O2/c15-11-6-12(16)19-13(18-11)9-3-1-8(2-4-9)5-10(7-17)14(20)21/h1-4,6,10H,5H2,(H,20,21)