methyl 3-(1-benzofuran-2-ylcarbonyl)-2-(bromomethyl)azulene-1-carboxylate

Systemtic Name: methyl 3-(1-benzofuran-2-ylcarbonyl)-2-(bromomethyl)azulene-1-carboxylate Openeye Name: methyl 3-(benzofuran-2-carbonyl)-2-(bromomethyl)azulene-1-carboxylate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(bromomethyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-benzofuran-2-carbonyl)-2-(bromomethyl)azulene-1-carboxylate Traditional Name: 3-(benzofuran-2-carbonyl)-2-(bromomethyl)azulene-1-carboxylic acid methyl ester Formula: C22H15BrO4 MolecularWeight: 423.2561

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C(=C1CBr)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C(=C1CBr)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H15BrO4/c1-26-22(25)20-15-9-4-2-3-8-14(15)19(16(20)12-23)21(24)18-11-13-7-5-6-10-17(13)27-18/h2-11H,12H2,1H3