methyl 7-bromanyl-2,5-dihydro-1-benzoxepine-9-carboxylate

Systemtic Name: methyl 7-bromanyl-2,5-dihydro-1-benzoxepine-9-carboxylate Openeye Name: methyl 7-bromo-2,5-dihydro-1-benzoxepine-9-carboxylate CAS Name: 7-bromo-2,5-dihydro-1-benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-2,5-dihydro-1-benzoxepine-9-carboxylate Traditional Name: 7-bromo-2,5-dihydro-1-benzoxepin-9-carboxylic acid methyl ester Formula: C12H11BrO3 MolecularWeight: 283.11794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1OCC=CC2)Br

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1OCC=CC2)Br

InChI

InChI=1S/C12H11BrO3/c1-15-12(14)10-7-9(13)6-8-4-2-3-5-16-11(8)10/h2-3,6-7H,4-5H2,1H3