[2-(4-bromanyl-3-methyl-phenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-(4-bromanyl-3-methyl-phenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(4-bromo-3-methyl-phenyl)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(4-bromo-3-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylphenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(4-bromo-3-methyl-phenyl)-2-keto-ethyl] ester Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C18H15BrO5/c1-11-8-12(2-4-14(11)19)15(20)10-24-18(21)13-3-5-16-17(9-13)23-7-6-22-16/h2-5,8-9H,6-7,10H2,1H3