5-bromanyl-2-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate

Systemtic Name: 5-bromanyl-2-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-2-(diethylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 5-bromo-2-[(1S)-2-(diethylamino)-2-keto-1-methyl-ethoxy]benzoate Formula: C14H17BrNO4- MolecularWeight: 343.19308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)[C@H](C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C14H18BrNO4/c1-4-16(5-2)13(17)9(3)20-12-7-6-10(15)8-11(12)14(18)19/h6-9H,4-5H2,1-3H3,(H,18,19)/p-1/t9-/m0/s1