(E)-1-(1,3-benzodioxol-5-yl)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-(2-pyrimidyloxy)phenyl]prop-2-en-1-one Formula: C20H14N2O4 MolecularWeight: 346.33616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C20H14N2O4/c23-17(15-5-9-18-19(12-15)25-13-24-18)8-4-14-2-6-16(7-3-14)26-20-21-10-1-11-22-20/h1-12H,13H2/b8-4+