5-bromanyl-2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: 5-bromanyl-2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: 5-bromo-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzoate IUPAC Name: 5-bromo-2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzoate Traditional Name: 5-bromo-2-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzoate Formula: C13H15BrNO4- MolecularWeight: 329.1665

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=C(C=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO4/c1-3-8(2)15-12(16)7-19-11-5-4-9(14)6-10(11)13(17)18/h4-6,8H,3,7H2,1-2H3,(H,15,16)(H,17,18)/p-1/t8-/m0/s1