(E)-3-(3-pyrimidin-2-ylphenyl)prop-2-enal

Systemtic Name: (E)-3-(3-pyrimidin-2-ylphenyl)prop-2-enal Openeye Name: (E)-3-(3-pyrimidin-2-ylphenyl)prop-2-enal CAS Name: (E)-3-[3-(2-pyrimidinyl)phenyl]-2-propenal IUPAC Name: (E)-3-(3-pyrimidin-2-ylphenyl)prop-2-enal Traditional Name: (E)-3-[3-(2-pyrimidyl)phenyl]acrolein Formula: C13H10N2O MolecularWeight: 210.2313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=CC=O)C2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)/C=C/C=O)C2=NC=CC=N2

InChI

InChI=1S/C13H10N2O/c16-9-2-5-11-4-1-6-12(10-11)13-14-7-3-8-15-13/h1-10H/b5-2+