(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H13BrO5 MolecularWeight: 389.19682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H13BrO5/c1-10-12-4-2-3-5-14(12)24-17(10)18(20)21-8-11-6-15-16(7-13(11)19)23-9-22-15/h2-7H,8-9H2,1H3