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

Systemtic Name: 3-bromanyl-4-[2-(cyclopropylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid Openeye Name: 3-bromo-4-[2-(cyclopropylamino)-2-oxo-ethoxy]-5-methoxy-benzoic acid CAS Name: 3-bromo-4-[2-(cyclopropylamino)-2-oxoethoxy]-5-methoxybenzoic acid IUPAC Name: 3-bromo-4-[2-(cyclopropylamino)-2-oxoethoxy]-5-methoxybenzoic acid Traditional Name: 3-bromo-4-[2-(cyclopropylamino)-2-keto-ethoxy]-5-methoxy-benzoic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)NC2CC2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCC(=O)NC2CC2

InChI

InChI=1S/C13H14BrNO5/c1-19-10-5-7(13(17)18)4-9(14)12(10)20-6-11(16)15-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,15,16)(H,17,18)