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

Systemtic Name: 5-bromanyl-2-[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 5-bromo-2-[(1S)-2-(dimethylamino)-2-keto-1-methyl-ethoxy]benzoate Formula: C12H13BrNO4- MolecularWeight: 315.13992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO4/c1-7(11(15)14(2)3)18-10-5-4-8(13)6-9(10)12(16)17/h4-7H,1-3H3,(H,16,17)/p-1/t7-/m0/s1