[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)N)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C)C(=O)N)Br)OC

InChI

InChI=1S/C13H16BrNO5/c1-4-19-10-6-8(5-9(14)11(10)18-3)13(17)20-7(2)12(15)16/h5-7H,4H2,1-3H3,(H2,15,16)/t7-/m1/s1