3-[5-(4-chloranyl-3-nitro-phenyl)-1,3-oxazol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-chloranyl-3-nitro-phenyl)-1,3-oxazol-2-yl]propanoic acid Openeye Name: 3-[5-(4-chloro-3-nitro-phenyl)oxazol-2-yl]propanoic acid CAS Name: 3-[5-(4-chloro-3-nitrophenyl)-2-oxazolyl]propanoic acid IUPAC Name: 3-[5-(4-chloro-3-nitrophenyl)-1,3-oxazol-2-yl]propanoic acid Traditional Name: 3-[5-(4-chloro-3-nitro-phenyl)oxazol-2-yl]propionic acid Formula: C12H9ClN2O5 MolecularWeight: 296.66326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CN=C(O2)CCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CN=C(O2)CCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H9ClN2O5/c13-8-2-1-7(5-9(8)15(18)19)10-6-14-11(20-10)3-4-12(16)17/h1-2,5-6H,3-4H2,(H,16,17)