[2-acetyloxy-4-[(2S)-2-azanyl-3-chloranyl-3-oxidanylidene-propyl]phenyl] ethanoate

Systemtic Name: [2-acetyloxy-4-[(2S)-2-azanyl-3-chloranyl-3-oxidanylidene-propyl]phenyl] ethanoate Openeye Name: [2-acetoxy-4-[(2S)-2-amino-3-chloro-3-oxo-propyl]phenyl] acetate CAS Name: acetic acid [2-acetyloxy-4-[(2S)-2-amino-3-chloro-3-oxopropyl]phenyl] ester IUPAC Name: [2-acetyloxy-4-[(2S)-2-amino-3-chloro-3-oxopropyl]phenyl] acetate Traditional Name: acetic acid [2-acetoxy-4-[(2S)-2-amino-3-chloro-3-keto-propyl]phenyl] ester Formula: C13H14ClNO5 MolecularWeight: 299.70696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)Cl)N)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)Cl)N)OC(=O)C

InChI

InChI=1S/C13H14ClNO5/c1-7(16)19-11-4-3-9(5-10(15)13(14)18)6-12(11)20-8(2)17/h3-4,6,10H,5,15H2,1-2H3/t10-/m0/s1