(2S)-2-azanyl-3-[3-(4-chlorophenyl)-5-oxidanylidene-2H-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-(4-chlorophenyl)-5-oxidanylidene-2H-1,2-oxazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-(4-chlorophenyl)-5-oxo-2H-isoxazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[3-(4-chlorophenyl)-5-oxo-2H-isoxazol-4-yl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-(4-chlorophenyl)-5-oxo-2H-1,2-oxazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-(4-chlorophenyl)-5-keto-3-isoxazolin-4-yl]propionic acid Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)ON2)CC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)ON2)C[C@@H](C(=O)O)N)Cl

InChI

InChI=1S/C12H11ClN2O4/c13-7-3-1-6(2-4-7)10-8(12(18)19-15-10)5-9(14)11(16)17/h1-4,9,15H,5,14H2,(H,16,17)/t9-/m0/s1