[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C12H14ClNO5 MolecularWeight: 287.69626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)N)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@@H](C)C(=O)N)Cl)O

InChI

InChI=1S/C12H14ClNO5/c1-3-18-9-5-7(4-8(13)10(9)15)12(17)19-6(2)11(14)16/h4-6,15H,3H2,1-2H3,(H2,14,16)/t6-/m0/s1