4-[2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(3-bromo-4-hydroxy-5-methoxy-phenyl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(3-bromo-4-hydroxy-5-methoxy-phenyl)ethylamino]-4-keto-butyrate Formula: C13H15BrNO5- MolecularWeight: 345.1659

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CCNC(=O)CCC(=O)[O-])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CCNC(=O)CCC(=O)[O-])Br)O

InChI

InChI=1S/C13H16BrNO5/c1-20-10-7-8(6-9(14)13(10)19)4-5-15-11(16)2-3-12(17)18/h6-7,19H,2-5H2,1H3,(H,15,16)(H,17,18)/p-1