(E)-3-[4-(1-methylpyrazol-3-yl)phenyl]prop-2-enal

Systemtic Name: (E)-3-[4-(1-methylpyrazol-3-yl)phenyl]prop-2-enal Openeye Name: (E)-3-[4-(1-methylpyrazol-3-yl)phenyl]prop-2-enal CAS Name: (E)-3-[4-(1-methyl-3-pyrazolyl)phenyl]-2-propenal IUPAC Name: (E)-3-[4-(1-methylpyrazol-3-yl)phenyl]prop-2-enal Traditional Name: (E)-3-[4-(1-methylpyrazol-3-yl)phenyl]acrolein Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C2=CC=C(C=C2)C=CC=O

Isomeric SMILES

CN1C=CC(=N1)C2=CC=C(C=C2)/C=C/C=O

InChI

InChI=1S/C13H12N2O/c1-15-9-8-13(14-15)12-6-4-11(5-7-12)3-2-10-16/h2-10H,1H3/b3-2+