[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H15BrO4 MolecularWeight: 351.1919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C16H15BrO4/c1-9-4-5-12(8-10(9)2)15(18)11(3)20-16(19)13-6-7-14(17)21-13/h4-8,11H,1-3H3