(E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoranyl-3-methyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoranyl-3-methyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methyl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methyl-phenyl)prop-2-en-1-one Formula: C17H13FO3 MolecularWeight: 284.281723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C17H13FO3/c1-11-8-13(4-5-14(11)18)15(19)6-2-12-3-7-16-17(9-12)21-10-20-16/h2-9H,10H2,1H3/b6-2+