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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-8(12(17)16-14(2,3)4)20-11-6-5-9(15)7-10(11)13(18)19/h5-8H,1-4H3,(H,16,17)(H,18,19)/p-1/t8-/m0/s1