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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC1=C(C=C(C=C1Br)C(=O)O)OC

Isomeric SMILES

CCCNC(=O)COC1=C(C=C(C=C1Br)C(=O)O)OC

InChI

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