4-[(2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-nitrophenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-nitrophenoxy)methyl]thiazole-2-carboxylic acid Formula: C11H8N2O5S MolecularWeight: 280.25662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O5S/c14-11(15)10-12-7(6-19-10)5-18-9-4-2-1-3-8(9)13(16)17/h1-4,6H,5H2,(H,14,15)