(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H14BrClO5 MolecularWeight: 413.64706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)Br

InChI

InChI=1S/C17H14BrClO5/c1-21-14-3-2-11(8-12(14)18)17(20)24-9-10-6-13(19)16-15(7-10)22-4-5-23-16/h2-3,6-8H,4-5,9H2,1H3