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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-4-oxobutanoate Traditional Name: 4-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]-4-keto-butyrate Formula: C12H13BrNO5- MolecularWeight: 331.13932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO5/c1-19-9-5-7(4-8(13)12(9)18)6-14-10(15)2-3-11(16)17/h4-5,18H,2-3,6H2,1H3,(H,14,15)(H,16,17)/p-1