[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C13H16BrNO5/c1-7(2)15-11(16)6-20-13(18)8-4-9(14)12(17)10(5-8)19-3/h4-5,7,17H,6H2,1-3H3,(H,15,16)