[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4/c1-4-15-12(16)8(2)19-13(17)10-7-9(18-3)5-6-11(10)14/h5-8H,4H2,1-3H3,(H,15,16)/t8-/m0/s1