methyl 2-(bromomethyl)-3-(phenylcarbonyl)azulene-1-carboxylate

Systemtic Name: methyl 2-(bromomethyl)-3-(phenylcarbonyl)azulene-1-carboxylate Openeye Name: methyl 3-benzoyl-2-(bromomethyl)azulene-1-carboxylate CAS Name: 3-benzoyl-2-(bromomethyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-benzoyl-2-(bromomethyl)azulene-1-carboxylate Traditional Name: 3-benzoyl-2-(bromomethyl)azulene-1-carboxylic acid methyl ester Formula: C20H15BrO3 MolecularWeight: 383.2353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrO3/c1-24-20(23)18-15-11-7-3-6-10-14(15)17(16(18)12-21)19(22)13-8-4-2-5-9-13/h2-11H,12H2,1H3