[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H17Br2NO4 MolecularWeight: 435.10778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br

InChI

InChI=1S/C15H17Br2NO4/c16-10-7-11(14(20)12(17)8-10)15(21)22-9-13(19)18-5-3-1-2-4-6-18/h7-8,20H,1-6,9H2