3-bromanyl-4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-benzoic acid Openeye Name: 3-bromo-4-[2-(dimethylamino)-2-oxo-ethoxy]-5-ethoxy-benzoic acid CAS Name: 3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxybenzoic acid IUPAC Name: 3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxybenzoic acid Traditional Name: 3-bromo-4-[2-(dimethylamino)-2-keto-ethoxy]-5-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)OCC(=O)N(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)N(C)C

InChI

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