[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C16H20BrNO4 MolecularWeight: 370.2383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H20BrNO4/c1-11(15(20)18-8-4-2-3-5-9-18)22-16(21)13-10-12(17)6-7-14(13)19/h6-7,10-11,19H,2-5,8-9H2,1H3