(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H15BrClNO5 MolecularWeight: 452.6831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C19H15BrClNO5/c1-2-24-15-8-12(10-22)5-13(20)18(15)27-17(23)9-11-6-14(21)19-16(7-11)25-3-4-26-19/h5-8H,2-4,9H2,1H3