3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]oxolan-2-one

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]oxolan-2-one Openeye Name: 3-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]tetrahydrofuran-2-one CAS Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-oxolanone IUPAC Name: 3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]oxolan-2-one Traditional Name: 3-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]tetrahydrofuran-2-one Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCOC2=O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCOC2=O)Br)O

InChI

InChI=1S/C12H14BrNO4/c1-17-10-5-7(4-8(13)11(10)15)6-14-9-2-3-18-12(9)16/h4-5,9,14-15H,2-3,6H2,1H3