4-[(2-methoxy-5-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-methoxy-5-nitro-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-methoxy-5-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-methoxy-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-methoxy-5-nitro-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C12H10N2O6S MolecularWeight: 310.2826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H10N2O6S/c1-19-9-3-2-8(14(17)18)4-10(9)20-5-7-6-21-11(13-7)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)