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

Systemtic Name: 3-bromanyl-5-ethoxy-4-[2-(ethylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-[2-(ethylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-bromo-5-ethoxy-4-[2-(ethylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-[2-(ethylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3-bromo-5-ethoxy-4-[2-(ethylamino)-2-keto-ethoxy]benzoic acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=C(C=C(C=C1Br)C(=O)O)OCC

Isomeric SMILES

CCNC(=O)COC1=C(C=C(C=C1Br)C(=O)O)OCC

InChI

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