(E)-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-enal

Systemtic Name: (E)-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-enal Openeye Name: (E)-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-enal CAS Name: (E)-3-[4-(4-methyl-2-pyrimidinyl)phenyl]-2-propenal IUPAC Name: (E)-3-[4-(4-methylpyrimidin-2-yl)phenyl]prop-2-enal Traditional Name: (E)-3-[4-(4-methylpyrimidin-2-yl)phenyl]acrolein Formula: C14H12N2O MolecularWeight: 224.25788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)C2=CC=C(C=C2)C=CC=O

Isomeric SMILES

CC1=NC(=NC=C1)C2=CC=C(C=C2)/C=C/C=O

InChI

InChI=1S/C14H12N2O/c1-11-8-9-15-14(16-11)13-6-4-12(5-7-13)3-2-10-17/h2-10H,1H3/b3-2+