2-azaniumyl-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)propanoate

Systemtic Name: 2-azaniumyl-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)propanoate Openeye Name: 2-azaniumyl-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)propanoate CAS Name: 2-ammonio-3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoate IUPAC Name: 2-azaniumyl-3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoate Traditional Name: 2-ammonio-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)propionate Formula: C10H12BrNO4 MolecularWeight: 290.11058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC(C(=O)[O-])[NH3+])Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CC(C(=O)[O-])[NH3+])Br)O

InChI

InChI=1S/C10H12BrNO4/c1-16-8-4-5(2-6(11)9(8)13)3-7(12)10(14)15/h2,4,7,13H,3,12H2,1H3,(H,14,15)