(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(5-fluoranyl-2-oxidanyl-phenyl)butan-1-one

Systemtic Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(5-fluoranyl-2-oxidanyl-phenyl)butan-1-one Openeye Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)-1-(5-fluoro-2-hydroxy-phenyl)butan-1-one CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(5-fluoro-2-hydroxyphenyl)-1-butanone IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-(5-fluoro-2-hydroxyphenyl)butan-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-ethyl-1-(5-fluoro-2-hydroxy-phenyl)prop-2-en-1-one Formula: C18H15FO4 MolecularWeight: 314.307703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C=CC(=C3)F)O

Isomeric SMILES

CC/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)C3=C(C=CC(=C3)F)O

InChI

InChI=1S/C18H15FO4/c1-2-12(18(21)14-9-13(19)4-5-15(14)20)7-11-3-6-16-17(8-11)23-10-22-16/h3-9,20H,2,10H2,1H3/b12-7+