(E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloranyl-2-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloranyl-2-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(5-chloro-2-methoxy-phenyl)prop-2-en-1-one Formula: C17H13ClO4 MolecularWeight: 316.73572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H13ClO4/c1-20-15-7-4-12(18)9-13(15)14(19)5-2-11-3-6-16-17(8-11)22-10-21-16/h2-9H,10H2,1H3/b5-2+