3-chloranyl-5-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate

Systemtic Name: 3-chloranyl-5-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 3-chloro-5-methoxy-4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]benzoate CAS Name: 3-chloro-5-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 3-chloro-5-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 3-chloro-4-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]-5-methoxy-benzoate Formula: C12H13ClNO5- MolecularWeight: 286.68832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)OC1=C(C=C(C=C1Cl)C(=O)[O-])OC

Isomeric SMILES

C[C@@H](C(=O)NC)OC1=C(C=C(C=C1Cl)C(=O)[O-])OC

InChI

InChI=1S/C12H14ClNO5/c1-6(11(15)14-2)19-10-8(13)4-7(12(16)17)5-9(10)18-3/h4-6H,1-3H3,(H,14,15)(H,16,17)/p-1/t6-/m0/s1