(E)-3-[2-[(2-chlorophenyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[(2-chlorophenyl)amino]pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-chloroanilino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-chloroanilino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-chloroanilino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-chloroanilino)pyrimidin-5-yl]acrylic acid Formula: C13H10ClN3O2 MolecularWeight: 275.6904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC=C(C=N2)C=CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC=C(C=N2)/C=C/C(=O)O)Cl

InChI

InChI=1S/C13H10ClN3O2/c14-10-3-1-2-4-11(10)17-13-15-7-9(8-16-13)5-6-12(18)19/h1-8H,(H,18,19)(H,15,16,17)/b6-5+