(5-ethanoyl-2-ethoxy-phenyl)methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H19ClO6 MolecularWeight: 402.82496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C21H19ClO6/c1-3-25-18-6-5-15(13(2)23)10-16(18)11-26-20(24)7-4-14-8-17(22)21-19(9-14)27-12-28-21/h4-10H,3,11-12H2,1-2H3/b7-4+