[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=C(C=C(C=C1)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO4/c1-7(2)15-12(17)8(3)19-13(18)10-5-4-9(14)6-11(10)16/h4-8,16H,1-3H3,(H,15,17)/t8-/m0/s1