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

Systemtic Name: methyl 4-acetamido-3-(3-bromanylpropyl)-2-oxidanyl-benzoate Openeye Name: methyl 4-acetamido-3-(3-bromopropyl)-2-hydroxy-benzoate CAS Name: 4-acetamido-3-(3-bromopropyl)-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-acetamido-3-(3-bromopropyl)-2-hydroxybenzoate Traditional Name: 4-acetamido-3-(3-bromopropyl)-2-hydroxy-benzoic acid methyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C=C1)C(=O)OC)O)CCCBr

Isomeric SMILES

CC(=O)NC1=C(C(=C(C=C1)C(=O)OC)O)CCCBr

InChI

InChI=1S/C13H16BrNO4/c1-8(16)15-11-6-5-10(13(18)19-2)12(17)9(11)4-3-7-14/h5-6,17H,3-4,7H2,1-2H3,(H,15,16)