4-[(2-chloranyl-4-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-chloro-4-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C11H7ClN2O5S MolecularWeight: 314.70168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C11H7ClN2O5S/c12-8-3-7(14(17)18)1-2-9(8)19-4-6-5-20-10(13-6)11(15)16/h1-3,5H,4H2,(H,15,16)