3-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate

Systemtic Name: 3-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 3-methoxy-4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]benzoate CAS Name: 3-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 3-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]-3-methoxy-benzoate Formula: C12H14NO5- MolecularWeight: 252.24326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-7(11(14)13-2)18-9-5-4-8(12(15)16)6-10(9)17-3/h4-7H,1-3H3,(H,13,14)(H,15,16)/p-1/t7-/m0/s1