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

Systemtic Name: 5-bromanyl-2-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 5-bromo-2-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethoxy]benzoate Formula: C13H13BrNO4- MolecularWeight: 327.15062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H14BrNO4/c1-7(12(16)15-9-3-4-9)19-11-5-2-8(14)6-10(11)13(17)18/h2,5-7,9H,3-4H2,1H3,(H,15,16)(H,17,18)/p-1/t7-/m0/s1