methyl 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]ethanoate

Systemtic Name: methyl 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]ethanoate Openeye Name: methyl 2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]acetate CAS Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]acetate Traditional Name: 2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]acetic acid methyl ester Formula: C11H14BrNO4 MolecularWeight: 304.13716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC(=O)OC)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC(=O)OC)Br)O

InChI

InChI=1S/C11H14BrNO4/c1-16-9-4-7(3-8(12)11(9)15)5-13-6-10(14)17-2/h3-4,13,15H,5-6H2,1-2H3