3-bromanyl-5-ethoxy-4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 3-bromanyl-5-ethoxy-4-[1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-[1-methyl-2-(methylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-bromo-5-ethoxy-4-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 3-bromo-5-ethoxy-4-[2-keto-1-methyl-2-(methylamino)ethoxy]benzoic acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OC(C)C(=O)NC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OC(C)C(=O)NC

InChI

InChI=1S/C13H16BrNO5/c1-4-19-10-6-8(13(17)18)5-9(14)11(10)20-7(2)12(16)15-3/h5-7H,4H2,1-3H3,(H,15,16)(H,17,18)