methyl 4-acetamido-3-(3-bromanylpropyl)-5-chloranyl-2-oxidanyl-benzoate

Systemtic Name: methyl 4-acetamido-3-(3-bromanylpropyl)-5-chloranyl-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-3-(3-bromopropyl)-5-chloro-2-hydroxy-benzoate CAS Name: 4-acetamido-3-(3-bromopropyl)-5-chloro-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(3-bromopropyl)-5-chloro-2-hydroxybenzoate Traditional Name: 4-acetamido-3-(3-bromopropyl)-5-chloro-2-hydroxy-benzoic acid methyl ester Formula: C13H15BrClNO4 MolecularWeight: 364.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1CCCBr)O)C(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1CCCBr)O)C(=O)OC)Cl

InChI

InChI=1S/C13H15BrClNO4/c1-7(17)16-11-8(4-3-5-14)12(18)9(6-10(11)15)13(19)20-2/h6,18H,3-5H2,1-2H3,(H,16,17)