(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(4-acetamidophenyl)ethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(4-acetamidophenyl)ethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H16BrNO5 MolecularWeight: 406.22734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H16BrNO5/c1-11(21)20-14-4-2-12(3-5-14)6-18(22)23-9-13-7-16-17(8-15(13)19)25-10-24-16/h2-5,7-8H,6,9-10H2,1H3,(H,20,21)