(E)-3-(3-fluoranyl-4-pyrazol-1-yl-phenyl)prop-2-enal

Systemtic Name: (E)-3-(3-fluoranyl-4-pyrazol-1-yl-phenyl)prop-2-enal Openeye Name: (E)-3-(3-fluoro-4-pyrazol-1-yl-phenyl)prop-2-enal CAS Name: (E)-3-[3-fluoro-4-(1-pyrazolyl)phenyl]-2-propenal IUPAC Name: (E)-3-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enal Traditional Name: (E)-3-(3-fluoro-4-pyrazol-1-yl-phenyl)acrolein Formula: C12H9FN2O MolecularWeight: 216.211063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)C=CC=O)F

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)/C=C/C=O)F

InChI

InChI=1S/C12H9FN2O/c13-11-9-10(3-1-8-16)4-5-12(11)15-7-2-6-14-15/h1-9H/b3-1+