(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16BrNO5/c1-2-23-17-9-13(10-21)7-14(20)19(17)26-18(22)6-4-12-3-5-15-16(8-12)25-11-24-15/h3,5,7-9H,2,4,6,11H2,1H3