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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)OC1=C(C=C(C=C1Br)C(=O)O)OC

Isomeric SMILES

CC(C(=O)N(C)C)OC1=C(C=C(C=C1Br)C(=O)O)OC

InChI

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